UCSF

ZINC49474262

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 13 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) 0.02 5.63 -24.97 6 5 1 91 184.267 3
Hi High (pH 8-9.5) 0.02 6.06 -8.7 5 5 0 89 183.259 3
Mid Mid (pH 6-8) 0.02 5.75 -98.72 7 5 2 92 185.275 3

Activity (Go SEA)

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