UCSF

ZINC37111229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 3.59 6.33 -40.13 3 2 1 31 229.432 10
Mid Mid (pH 6-8) 3.59 7.24 -28.65 3 2 1 30 229.432 10
Mid Mid (pH 6-8) 3.59 7.58 -117.89 4 2 2 32 230.44 10

Activity (Go SEA)

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