UCSF

ZINC45779666

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.97 3.85 -34.47 2 5 1 46 286.44 8
Hi High (pH 8-9.5) 0.97 1.64 -7.8 1 5 0 45 285.432 8

Activity (Go SEA)

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