UCSF

ZINC31945987

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) -0.18 5.43 -72.31 1 4 0 68 182.223 3
Hi High (pH 8-9.5) -0.18 3.08 -50.29 0 4 -1 67 181.215 3

Activity (Go SEA)

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