UCSF

ZINC59751319

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.53 3 -5.86 0 3 0 24 196.294 0
Mid Mid (pH 6-8) 1.53 5.18 -41.43 1 3 1 25 197.302 0

Activity (Go SEA)

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