UCSF

ZINC24982628

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 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) 3.08 6.26 -23.27 2 7 0 101 402.501 6
Hi High (pH 8-9.5) 3.15 5.43 -93.55 0 7 -2 109 400.485 6
Hi High (pH 8-9.5) 3.15 5.36 -49.3 1 7 -1 107 401.493 6
Mid Mid (pH 6-8) 3.08 6.33 -49.69 1 7 -1 103 401.493 6

Activity (Go SEA)

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