UCSF

ZINC37855983

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) 0.19 4.86 -175.55 5 4 3 46 234.408 10
Mid Mid (pH 6-8) 0.19 1.84 -100.85 4 4 2 45 233.4 10
Mid Mid (pH 6-8) 0.19 2.96 -75.96 4 4 2 41 233.4 10

Activity (Go SEA)

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