UCSF

ZINC49056306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 17 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) 0.75 6.59 -81.02 5 5 2 70 235.335 3
Hi High (pH 8-9.5) 0.75 3.8 -5.71 3 5 0 67 233.319 3
Mid Mid (pH 6-8) 0.75 6.14 -40.62 4 5 1 68 234.327 3

Activity (Go SEA)

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