UCSF

ZINC36804283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.22 5.46 -36.19 2 4 1 43 229.344 7
Lo Low (pH 4.5-6) 1.22 6.65 -107.99 3 4 2 47 230.352 7

Activity (Go SEA)

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