UCSF

ZINC36885688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) -1.78 2.6 -45.79 2 8 -1 122 239.211 5
Mid Mid (pH 6-8) -1.33 0.94 -102.21 1 8 -2 125 238.203 5

Activity (Go SEA)

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