UCSF

ZINC58552560

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 15 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) 1.79 3.38 -35.31 3 3 1 48 225.337 2
Mid Mid (pH 6-8) 1.79 1.48 -8.67 2 3 0 46 224.329 2

Activity (Go SEA)

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