UCSF

ZINC35849937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 5.58 10.87 -13.86 1 6 0 61 448.574 5
Mid Mid (pH 6-8) 5.58 13.1 -57.42 2 6 1 62 449.582 5
Lo Low (pH 4.5-6) 5.58 13.51 -101.25 3 6 2 63 450.59 5

Activity (Go SEA)

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