UCSF

ZINC23374707

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 26 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) 1.27 8.24 -90.73 2 6 2 42 368.566 6
Hi High (pH 8-9.5) 1.27 5.88 -42.62 1 6 1 40 367.558 6
Hi High (pH 8-9.5) 1.27 6.28 -40.57 1 6 1 40 367.558 6
Hi High (pH 8-9.5) 1.27 8.64 -79.63 2 6 2 42 368.566 6
Mid Mid (pH 6-8) 1.27 7.97 -85.46 2 6 2 42 368.566 6
Lo Low (pH 4.5-6) 1.27 10.63 -165.96 3 6 3 43 369.574 6
Lo Low (pH 4.5-6) 1.27 9.97 -192.63 3 6 3 43 369.574 6

Activity (Go SEA)

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