UCSF

ZINC37053413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.58 -0.43 -8.55 3 6 0 85 354.259 5
Mid Mid (pH 6-8) 1.58 1.84 -47.81 4 6 1 86 355.267 5

Activity (Go SEA)

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