UCSF

ZINC31862140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 38 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) 8.06 15.01 -12.96 2 6 0 90 518.746 21
Mid Mid (pH 6-8) 8.06 16.09 -54.46 3 6 1 95 519.754 21
Lo Low (pH 4.5-6) 8.06 17.18 -101.77 4 6 2 99 520.762 21

Activity (Go SEA)

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