UCSF

ZINC40860380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 4.12 9.93 -43.04 2 2 1 26 302.463 7
Mid Mid (pH 6-8) 4.12 8.89 -5.11 1 2 0 21 301.455 7

Activity (Go SEA)

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