UCSF

ZINC45619236

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.59 8.53 -115.98 3 3 2 29 278.44 6
Hi High (pH 8-9.5) 2.59 4.21 -3.87 1 3 0 27 276.424 6
Mid Mid (pH 6-8) 2.59 6.6 -37.12 2 3 1 28 277.432 6
Mid Mid (pH 6-8) 2.59 6.1 -33.24 2 3 1 28 277.432 6

Activity (Go SEA)

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