UCSF

ZINC36782206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.52 0.44 -11.61 4 5 0 80 206.249 4
Mid Mid (pH 6-8) 0.52 0.9 -32.12 5 5 1 81 207.257 4

Activity (Go SEA)

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