UCSF

ZINC33816093

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 25 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) -2.63 -2.28 -62.29 4 12 -1 178 374.27 4
Mid Mid (pH 6-8) -2.00 -2.87 -61.17 4 12 -1 175 374.27 5
Lo Low (pH 4.5-6) -2.00 -2.37 -38.28 5 12 0 176 375.278 5

Activity (Go SEA)

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