UCSF

ZINC62939809

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 13 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) -0.30 2.49 -86.25 4 3 2 35 185.315 2
Hi High (pH 8-9.5) -0.30 0.93 -42.48 3 3 1 34 184.307 2

Activity (Go SEA)

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