UCSF

ZINC34538854

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 0.66 0.81 -43.87 4 4 1 66 204.253 3
Hi High (pH 8-9.5) 0.66 0.41 -9.46 3 4 0 64 203.245 3

Activity (Go SEA)

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