UCSF

ZINC33893718

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.83 4.16 -23.02 2 8 0 110 418.5 7
Hi High (pH 8-9.5) 3.02 2.3 -51.76 1 8 -1 117 417.492 7

Activity (Go SEA)

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