UCSF

ZINC36712864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 37 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) 7.02 16.12 -16.28 0 5 0 59 521.045 5
Lo Low (pH 4.5-6) 7.02 16.52 -40.33 1 5 1 60 522.053 5

Activity (Go SEA)

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