UCSF

ZINC36621456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 2.30 11.83 -46.92 1 7 1 65 434.511 5
Mid Mid (pH 6-8) 2.30 9.6 -15.89 0 7 0 63 433.503 5

Activity (Go SEA)

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