UCSF

ZINC45663780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.91 5.42 -107.23 4 3 2 35 271.474 8
Hi High (pH 8-9.5) 1.91 2.94 -43.53 3 3 1 34 270.466 8
Hi High (pH 8-9.5) 1.91 5.09 -35.07 3 3 1 34 270.466 8

Activity (Go SEA)

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