UCSF

ZINC23144146

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 28 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) 4.10 11.49 -19.52 0 5 0 51 368.44 3
Lo Low (pH 4.5-6) 4.10 11.89 -35.05 1 5 1 52 369.448 3

Activity (Go SEA)

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