UCSF

ZINC36190613

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 3.78 10.79 -100.35 3 3 2 24 356.352 6
Mid Mid (pH 6-8) 3.78 8.62 -40.73 2 3 1 23 355.344 6

Activity (Go SEA)

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