UCSF

ZINC02518191

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) 1.78 6.32 -44.12 0 2 -1 40 205.208 1
Mid Mid (pH 6-8) 1.78 6.32 -44.14 0 2 -1 40 205.208 1
Mid Mid (pH 6-8) 1.78 4.59 -10.7 1 2 0 37 206.216 1
Mid Mid (pH 6-8) 1.78 4.6 -10.71 1 2 0 37 206.216 1
Mid Mid (pH 6-8) 1.03 6.52 -12.93 0 2 0 34 206.216 1

Activity (Go SEA)

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