UCSF

ZINC33777601

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 28 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) 3.64 6.95 -17.89 2 7 0 93 416.528 7
Hi High (pH 8-9.5) 3.82 5.88 -44.09 1 7 -1 100 415.52 7

Activity (Go SEA)

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