UCSF

ZINC41730495

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 14 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) -0.12 6.31 -32.41 2 3 0 57 197.278 6
Mid Mid (pH 6-8) -0.12 4.99 -45.27 1 3 -1 52 196.27 6

Activity (Go SEA)

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