UCSF

ZINC09725291

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 19 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) 2.35 5.81 -15.11 1 6 0 77 279.321 6
Hi High (pH 8-9.5) 2.35 5.65 -42 0 6 -1 75 278.313 6

Activity (Go SEA)

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