UCSF

ZINC32856108

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 27 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) 4.56 11.56 -56.65 3 5 1 64 383.903 6
Mid Mid (pH 6-8) 4.56 10.3 -12.83 2 5 0 59 382.895 6

Activity (Go SEA)

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