UCSF

ZINC42835621

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 42 No

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) -5.00 -5.91 -59.71 11 17 1 266 598.682 14
Hi High (pH 8-9.5) -5.00 -6.22 -25.38 10 17 0 264 597.674 14

Activity (Go SEA)

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