UCSF

ZINC37000457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.68 1.07 -43.25 5 5 1 86 258.386 7
Mid Mid (pH 6-8) 0.68 0.79 -6.33 4 5 0 84 257.378 7

Activity (Go SEA)

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