UCSF

ZINC44317897

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 20 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) 1.14 2.08 -9.42 2 6 0 84 275.308 6
Mid Mid (pH 6-8) 1.60 0.29 -45.48 1 6 -1 87 274.3 6

Activity (Go SEA)

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