UCSF

ZINC13735135

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 4.18 10.51 -50.35 1 6 1 56 441.935 5
Hi High (pH 8-9.5) 4.18 7.59 -13.39 0 6 0 55 440.927 5
Mid Mid (pH 6-8) 4.17 9.73 -47.57 1 6 1 56 441.935 5
Lo Low (pH 4.5-6) 4.17 12.58 -119.97 2 6 2 58 442.943 5

Activity (Go SEA)

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