UCSF

ZINC37841078

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.54 2.19 -15.36 1 7 0 73 293.371 3
Mid Mid (pH 6-8) -1.54 4.36 -49.5 2 7 1 74 294.379 3

Activity (Go SEA)

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