UCSF

ZINC32497893

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 28 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) 1.12 7.79 -28.36 1 7 0 80 377.448 6
Lo Low (pH 4.5-6) 1.12 8.18 -48.21 2 7 1 81 378.456 6

Activity (Go SEA)

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