UCSF

ZINC36991764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 4.25 10.48 -3.07 1 1 0 12 330.269 4
Mid Mid (pH 6-8) 4.25 11.31 -45.28 2 1 1 17 331.277 4

Activity (Go SEA)

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