UCSF

ZINC43408419

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 No

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) 1.63 6.84 -14.8 2 5 0 68 279.365 5
Mid Mid (pH 6-8) 1.63 7.31 -31.04 3 5 1 70 280.373 5

Activity (Go SEA)

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