UCSF

ZINC35367854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 0.92 3.94 -29.79 3 6 1 73 265.337 5
Mid Mid (pH 6-8) 0.92 3.63 -8.04 2 6 0 72 264.329 5
Lo Low (pH 4.5-6) 0.92 6.11 -91.41 4 6 2 74 266.345 5
Lo Low (pH 4.5-6) 0.92 5.79 -39.03 3 6 1 73 265.337 5

Activity (Go SEA)

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