UCSF

ZINC45703257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) -0.28 2.11 -42.11 3 6 1 81 247.315 10
Hi High (pH 8-9.5) -0.28 0.95 -10.08 2 6 0 77 246.307 10

Activity (Go SEA)

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