UCSF

ZINC37801222

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.00 6.16 -43.28 3 3 1 48 295.453 6
Mid Mid (pH 6-8) 2.00 5.84 -9.14 2 3 0 46 294.445 6

Activity (Go SEA)

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