UCSF

ZINC23411536

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 24 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) 2.72 6.64 -17.9 1 5 0 50 326.444 3
Mid Mid (pH 6-8) 2.72 8.96 -58.34 2 5 1 51 327.452 3
Mid Mid (pH 6-8) 2.72 7.05 -34.37 2 5 1 51 327.452 3
Lo Low (pH 4.5-6) 2.72 9.37 -114.65 3 5 2 53 328.46 3

Activity (Go SEA)

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