UCSF

ZINC40530494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 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) -1.20 5.24 -80.15 3 7 1 81 259.33 5
Mid Mid (pH 6-8) -1.20 3.1 -68.04 2 7 0 80 258.322 5

Activity (Go SEA)

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