UCSF

ZINC12305780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 22 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) -0.19 -2.63 -13.1 1 6 0 72 305.378 6
Lo Low (pH 4.5-6) -0.19 -2.62 -42.94 2 6 1 73 306.386 6

Activity (Go SEA)

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