UCSF

ZINC32611652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.55 4.79 -11.82 1 5 0 64 299.783 4
Mid Mid (pH 6-8) 2.55 4.91 -37.17 2 5 1 65 300.791 4
Mid Mid (pH 6-8) 2.55 4.82 -37.63 0 5 -1 66 298.775 4

Activity (Go SEA)

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