UCSF

ZINC37242279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.16 6.3 -37.4 2 2 1 16 223.315 4
Lo Low (pH 4.5-6) 2.16 7.49 -115.52 3 2 2 21 224.323 4

Activity (Go SEA)

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