UCSF

ZINC09047887

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 20 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) 1.01 0.51 -17.05 1 6 0 72 289.364 6
Lo Low (pH 4.5-6) 1.01 0.16 -35.21 2 6 1 73 290.372 6

Activity (Go SEA)

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