UCSF

ZINC37869527

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) -0.30 -0.08 -33.25 4 4 1 60 186.279 3
Mid Mid (pH 6-8) -0.30 -1.28 -43.09 4 4 1 63 186.279 3
Lo Low (pH 4.5-6) -0.30 1.13 -101.91 5 4 2 64 187.287 3

Activity (Go SEA)

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