UCSF

ZINC37821110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 1.38 4.78 -49.66 3 4 1 72 226.344 7
Mid Mid (pH 6-8) 1.38 4.48 -9.54 2 4 0 70 225.336 7

Activity (Go SEA)

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