UCSF

ZINC36829019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) -1.25 -0.17 -16.98 1 7 0 91 273.314 4
Hi High (pH 8-9.5) -0.79 -2.09 -56.65 0 7 -1 94 272.306 4

Activity (Go SEA)

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