UCSF

ZINC32508868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 25 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) 4.22 8.33 -45.27 0 5 -1 74 372.495 4
Lo Low (pH 4.5-6) 4.22 8.26 -13.95 1 5 0 72 373.503 4

Activity (Go SEA)

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