UCSF

ZINC36777408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.84 6.24 -121.5 4 3 2 45 235.375 3
Hi High (pH 8-9.5) 0.84 4.14 -44.18 3 3 1 44 234.367 3
Hi High (pH 8-9.5) 0.84 5.98 -31.45 3 3 1 43 234.367 3
Mid Mid (pH 6-8) 0.84 4.16 -98.85 4 3 2 45 235.375 3

Activity (Go SEA)

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