UCSF

ZINC38596450

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 No

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) 2.96 5.31 -37.62 1 6 0 89 359.385 3
Lo Low (pH 4.5-6) 2.50 7.58 -34.51 2 6 1 86 360.393 3

Activity (Go SEA)

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