UCSF

ZINC32657823

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 23 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) 1.80 4.98 -21.01 1 5 0 64 325.29 7
Lo Low (pH 4.5-6) 1.80 5.35 -46.52 2 5 1 65 326.298 7

Activity (Go SEA)

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