UCSF

ZINC34676962

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 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) 3.19 12.08 -10.58 0 7 0 62 429.952 4
Mid Mid (pH 6-8) 3.19 12.34 -34.11 1 7 1 63 430.96 4

Activity (Go SEA)

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