UCSF

ZINC61993356

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 17 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) 2.33 6.53 -43.93 2 2 1 20 251.419 7
Mid Mid (pH 6-8) 2.33 8.96 -118.38 3 2 2 21 252.427 7
Mid Mid (pH 6-8) 2.33 7.62 -34.29 2 2 1 16 251.419 7

Activity (Go SEA)

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