UCSF

ZINC35012328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 3.84 6.95 -129.28 6 6 2 99 452.558 8
Hi High (pH 8-9.5) 3.84 8.49 -161.42 4 6 0 105 450.542 8
Hi High (pH 8-9.5) 3.84 6.33 -84.26 4 6 0 98 450.542 8
Mid Mid (pH 6-8) 3.84 7.72 -140.07 5 6 1 102 451.55 8

Activity (Go SEA)

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