UCSF

ZINC36720816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 19 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) 0.46 6.19 -70.14 0 6 -1 81 262.241 3
Mid Mid (pH 6-8) 0.46 5.39 -27.36 1 6 0 84 263.249 3

Activity (Go SEA)

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