UCSF

ZINC32603966

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 26 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) 4.87 12.95 -8.6 2 7 0 75 354.458 5
Lo Low (pH 4.5-6) 4.87 13.04 -24.12 3 7 1 76 355.466 5
Lo Low (pH 4.5-6) 4.87 13.28 -30.53 3 7 1 76 355.466 5

Activity (Go SEA)

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