UCSF

ZINC20718841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 23 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) 1.30 1.15 -12.63 2 7 0 89 335.385 4
Hi High (pH 8-9.5) 1.20 1.52 -46.74 0 7 -1 88 334.377 4
Mid Mid (pH 6-8) 1.12 3.57 -10.7 2 7 0 85 335.385 4
Mid Mid (pH 6-8) 1.30 1.15 -10.58 2 7 0 89 335.385 4

Activity (Go SEA)

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