UCSF

ZINC19929438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 1.10 3.67 -39.08 3 2 1 31 191.298 2
Hi High (pH 8-9.5) 1.10 5.1 -29.03 3 2 1 30 191.298 2

Activity (Go SEA)

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