UCSF

ZINC40419087

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 2.22 5.81 -42.06 2 4 1 37 359.263 5
Hi High (pH 8-9.5) 2.22 3.44 -9.54 1 4 0 36 358.255 5
Mid Mid (pH 6-8) 2.22 5.7 -45 2 4 1 37 359.263 5

Activity (Go SEA)

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