UCSF

ZINC23069561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 20 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) 2.35 4.52 -48.27 3 3 1 40 279.448 3
Mid Mid (pH 6-8) 2.35 6.69 -142.73 4 3 2 41 280.456 3

Activity (Go SEA)

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