UCSF

ZINC45687994

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 3.52 9.8 -47.19 2 3 1 43 290.408 8
Mid Mid (pH 6-8) 3.52 8.45 -6.6 1 3 0 38 289.4 8

Activity (Go SEA)

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