UCSF

ZINC20306225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 1.98 2.04 -43.28 4 3 1 57 210.297 4
Hi High (pH 8-9.5) 1.98 3.1 -67.98 3 3 0 60 209.289 4
Hi High (pH 8-9.5) 1.98 3.25 -50.01 3 3 0 60 209.289 4

Activity (Go SEA)

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