UCSF

ZINC19723253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 13 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) 0.08 4.36 -38.84 2 3 1 37 183.275 1
Hi High (pH 8-9.5) 0.08 3.14 -5.16 1 3 0 32 182.267 1
Lo Low (pH 4.5-6) 0.08 3.37 -34.11 2 3 1 34 183.275 1
Lo Low (pH 4.5-6) 0.08 4.77 -115.52 3 3 2 38 184.283 1

Activity (Go SEA)

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