UCSF

ZINC37039658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -1.54 -1.06 -91.98 5 6 2 74 260.382 7
Mid Mid (pH 6-8) -1.54 -3.3 -48.06 4 6 1 72 259.374 7
Lo Low (pH 4.5-6) -1.54 -1.04 -117.78 5 6 2 74 260.382 7

Activity (Go SEA)

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