UCSF

ZINC35609605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 17 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) -1.51 -2.12 -48.54 1 7 -1 101 265.311 6
Lo Low (pH 4.5-6) -1.51 0.18 -68.64 2 7 0 102 266.319 6

Activity (Go SEA)

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