UCSF

ZINC42782813

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) -0.34 6.4 -66.69 3 7 0 102 308.26 7
Mid Mid (pH 6-8) -0.34 5.89 -56.78 2 7 -1 101 307.252 7

Activity (Go SEA)

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