UCSF

ZINC41528117

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 17 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) 0.36 4.81 -41.34 2 6 1 62 233.299 1
Mid Mid (pH 6-8) 0.36 3.36 -9.13 1 6 0 61 232.291 1

Activity (Go SEA)

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