UCSF

ZINC58297595

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 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) 2.60 3.9 -8.67 3 4 0 64 349.228 6
Mid Mid (pH 6-8) 2.60 5.05 -38.12 4 4 1 69 350.236 6

Activity (Go SEA)

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