UCSF

ZINC34824586

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 14 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) 0.70 5.02 -38.26 2 4 1 38 197.306 4
Hi High (pH 8-9.5) 0.70 3.58 -5.22 1 4 0 33 196.298 4
Mid Mid (pH 6-8) 0.70 5.16 -89.01 3 4 2 39 198.314 4

Activity (Go SEA)

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