UCSF

ZINC36672479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.91 5.39 -45.52 4 5 1 75 295.403 8
Hi High (pH 8-9.5) 1.91 5.01 -10.93 3 5 0 74 294.395 8

Activity (Go SEA)

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