UCSF

ZINC41584461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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) 5.59 10.87 -40.64 2 6 1 73 503.413 7
Mid Mid (pH 6-8) 5.59 11.53 -27.29 1 6 0 76 502.405 7

Activity (Go SEA)

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