UCSF

ZINC36386189

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 20 No

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) -0.95 -4.64 -57.7 5 9 -1 140 298.304 2
Mid Mid (pH 6-8) -1.67 -4.23 -24.98 6 9 0 142 299.312 2

Activity (Go SEA)

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