UCSF

ZINC30581277

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 22 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) 1.73 3.22 -19.49 3 6 0 94 317.37 7
Hi High (pH 8-9.5) 1.80 2.3 -54.9 2 6 -1 101 316.362 7

Activity (Go SEA)

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