UCSF

ZINC03818592

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 25 No

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) 2.49 6.25 -19.7 2 6 0 92 344.411 5
Hi High (pH 8-9.5) 2.68 1.5 -57.04 1 6 -1 97 343.403 5
Hi High (pH 8-9.5) 2.49 1.5 -57.04 1 6 -1 94 343.403 5

Activity (Go SEA)

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