UCSF

ZINC05379048

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 18 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) 0.53 -0.33 -22.21 3 6 0 95 247.254 4
Ref Reference (pH 7) 0.53 -0.22 -15.18 3 6 0 95 247.254 4
Hi High (pH 8-9.5) 0.99 -1.97 -47.1 2 6 -1 98 246.246 4
Hi High (pH 8-9.5) 0.99 -2.25 -61.86 2 6 -1 98 246.246 4

Activity (Go SEA)

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