UCSF

ZINC36667759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) -0.28 2.25 -47.74 2 5 1 55 231.316 8
Hi High (pH 8-9.5) -0.28 0.91 -6.48 1 5 0 51 230.308 8
Lo Low (pH 4.5-6) -0.28 4.53 -112.83 3 5 2 57 232.324 8

Activity (Go SEA)

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