UCSF

ZINC37996405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) -0.11 3.34 -47.99 3 5 1 70 222.268 1
Mid Mid (pH 6-8) -0.11 1.96 -66.22 3 5 1 74 222.268 1
Mid Mid (pH 6-8) -0.11 4.36 -73.19 2 5 0 73 221.26 1

Activity (Go SEA)

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