UCSF

ZINC59467804

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 18 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) 0.75 2.17 -110.53 6 4 2 74 254.374 8
Mid Mid (pH 6-8) 0.75 1.83 -43.7 5 4 1 72 253.366 8

Activity (Go SEA)

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