UCSF

ZINC22977264

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 23 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) 1.61 7.08 -40.87 3 5 1 64 311.409 5
Mid Mid (pH 6-8) 1.61 4.7 -13.93 2 5 0 62 310.401 5

Activity (Go SEA)

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