UCSF

ZINC36170493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 1.01 -1.73 -9.64 3 6 0 87 299.396 3
Hi High (pH 8-9.5) 1.01 -0.96 -42.52 2 6 -1 90 298.388 3
Mid Mid (pH 6-8) 1.01 0.65 -43.2 4 6 1 88 300.404 3

Activity (Go SEA)

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