UCSF

ZINC40934790

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 2.54 8.51 -42.26 1 3 1 31 230.335 3
Mid Mid (pH 6-8) 2.54 6.31 -5.15 0 3 0 30 229.327 3

Activity (Go SEA)

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