UCSF

ZINC36365866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 31 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) 2.63 5.48 -29.61 2 7 1 70 421.521 5
Ref Reference (pH 7) 1.97 6.8 -13.49 1 7 0 65 420.513 5
Mid Mid (pH 6-8) 1.97 9.07 -41.87 2 7 1 66 421.521 5
Mid Mid (pH 6-8) 2.63 7.74 -86.28 3 7 2 71 422.529 5

Activity (Go SEA)

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