UCSF

ZINC37795280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.48 2.84 -53.1 3 7 -1 122 291.283 7
Lo Low (pH 4.5-6) 0.48 0.84 -14.95 4 7 0 119 292.291 7

Activity (Go SEA)

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