UCSF

ZINC60080277

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 21 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) 2.27 8.99 -42.53 2 3 1 44 280.395 1
Mid Mid (pH 6-8) 2.27 7.5 -11.73 1 3 0 43 279.387 1

Activity (Go SEA)

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