UCSF

ZINC24573416

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.10 -0.54 -18.66 4 9 0 124 458.54 8
Hi High (pH 8-9.5) 2.10 -0.52 -59.58 3 9 -1 126 457.532 8
Hi High (pH 8-9.5) 2.10 0.23 -55.47 3 9 -1 127 457.532 8
Hi High (pH 8-9.5) 2.10 0.25 -112.03 2 9 -2 129 456.524 8
Mid Mid (pH 6-8) 1.14 1.58 -55.58 2 9 -1 119 457.532 8
Mid Mid (pH 6-8) 2.10 1.74 -54.97 5 9 1 125 459.548 8
Mid Mid (pH 6-8) 1.14 3.79 -55.62 4 9 1 118 459.548 8
Mid Mid (pH 6-8) 1.14 3.84 -76.72 3 9 0 120 458.54 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )