UCSF

ZINC06316316

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 24 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) 5.32 8.22 -10.53 1 4 0 62 362.451 4
Mid Mid (pH 6-8) 4.39 7.94 -47.35 0 4 -1 61 361.443 5

Activity (Go SEA)

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