UCSF

ZINC37999444

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) -1.60 -2.68 -7.78 3 8 0 109 228.208 3
Mid Mid (pH 6-8) -1.14 -4.34 -37.63 2 8 -1 112 227.2 3

Activity (Go SEA)

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