UCSF

ZINC49773592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 13 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) 0.67 1.96 -32.57 2 3 1 38 199.299 2
Hi High (pH 8-9.5) 0.67 -0.28 -6.1 1 3 0 36 198.291 2

Activity (Go SEA)

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