UCSF

ZINC44510898

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) 0.54 3.79 -126.9 5 3 2 53 216.369 7
Mid Mid (pH 6-8) 0.54 3.37 -33.82 4 3 1 52 215.361 7

Activity (Go SEA)

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