UCSF

ZINC34865210

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 3.27 11.44 -45.11 2 8 1 80 458.999 7
Mid Mid (pH 6-8) 3.27 9.22 -10.68 1 8 0 79 457.991 7

Activity (Go SEA)

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