UCSF

ZINC09275697

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 No

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) 2.93 10.45 -55.3 0 9 -1 128 458.45 7
Mid Mid (pH 6-8) 2.93 9.66 -15.11 1 9 0 126 459.458 7
Mid Mid (pH 6-8) 2.35 0.52 -16.49 0 9 0 122 459.458 7
Lo Low (pH 4.5-6) 2.93 9.96 -44.91 2 9 1 127 460.466 7
Lo Low (pH 4.5-6) 2.35 0.65 -48.64 1 9 1 123 460.466 7

Activity (Go SEA)

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