UCSF

ZINC35133578

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 0.23 2.16 -46.38 2 5 1 55 231.316 7
Hi High (pH 8-9.5) 0.23 0.81 -6.18 1 5 0 51 230.308 7
Lo Low (pH 4.5-6) 0.23 4.42 -122.48 3 5 2 57 232.324 7

Activity (Go SEA)

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