UCSF

ZINC40175538

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 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) 3.09 6.59 -5.3 1 4 0 51 298.264 5
Mid Mid (pH 6-8) 3.09 7.01 -34.39 2 4 1 52 299.272 5

Activity (Go SEA)

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