UCSF

ZINC37786301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 4.30 9.39 -31.94 2 2 1 16 289.487 4
Lo Low (pH 4.5-6) 4.30 10.58 -107.01 3 2 2 21 290.495 4

Activity (Go SEA)

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