UCSF

ZINC01683336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 16 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) 3.23 -1.12 -9.29 2 2 0 38 208.264 0
Lo Low (pH 4.5-6) 3.23 -1.08 -26.8 3 2 1 40 209.272 0

Activity (Go SEA)

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