UCSF

ZINC21800132

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 2.39 6.62 -22.59 1 6 0 59 364.449 6
Mid Mid (pH 6-8) 2.39 7.03 -33.58 2 6 1 61 365.457 6
Mid Mid (pH 6-8) 2.39 8.93 -61.51 2 6 1 61 365.457 6
Lo Low (pH 4.5-6) 2.39 9.34 -114.05 3 6 2 62 366.465 6

Activity (Go SEA)

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