UCSF

ZINC45703091

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.61 3.27 -14.44 2 6 0 84 281.337 7
Hi High (pH 8-9.5) 1.07 0.66 -49.61 1 6 -1 87 280.329 7
Mid Mid (pH 6-8) 0.61 4.64 -60.51 3 6 1 89 282.345 7

Activity (Go SEA)

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