UCSF

ZINC34441013

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 17 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) 2.31 3.73 -57.72 2 5 -1 84 250.303 3
Mid Mid (pH 6-8) 2.13 7.17 -24 3 5 0 82 251.311 4

Activity (Go SEA)

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