UCSF

ZINC23390383

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 21 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) 0.46 1.91 -18.3 2 7 0 103 311.363 5
Hi High (pH 8-9.5) 1.37 0.85 -47.52 1 7 -1 106 310.355 5

Activity (Go SEA)

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