UCSF

ZINC37809433

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.86 3 -45.79 4 4 1 68 243.371 6
Mid Mid (pH 6-8) 1.86 3.39 -10.14 3 4 0 67 242.363 6

Activity (Go SEA)

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