UCSF

ZINC34668349

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 4.01 6.95 -9.65 1 6 0 62 458.484 7
Mid Mid (pH 6-8) 4.01 9.21 -49.52 2 6 1 63 459.492 7

Activity (Go SEA)

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