UCSF

ZINC53125532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 13 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) 1.61 3.18 -30.54 3 2 1 37 182.287 3
Mid Mid (pH 6-8) 1.61 1.98 -4.12 2 2 0 32 181.279 3

Activity (Go SEA)

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