UCSF

ZINC34985237

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 3.58 9.29 -99.4 4 7 2 86 486.653 9
Hi High (pH 8-9.5) 3.58 5.97 -8.5 2 7 0 80 484.637 9
Mid Mid (pH 6-8) 3.58 8.08 -44.45 3 7 1 81 485.645 9
Mid Mid (pH 6-8) 3.58 7.17 -46.4 3 7 1 85 485.645 9

Activity (Go SEA)

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