UCSF

ZINC33121185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 32 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) 2.00 4.84 -51.37 4 8 1 104 459.592 7
Hi High (pH 8-9.5) 2.00 3.43 -17.31 3 8 0 100 458.584 7
Hi High (pH 8-9.5) 2.00 4.91 -65.52 3 8 0 106 458.584 7

Activity (Go SEA)

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