UCSF

ZINC04116677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 21 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) 1.50 4.36 -14.55 1 7 0 105 307.331 5
Hi High (pH 8-9.5) 1.50 3.84 -41.59 0 7 -1 107 306.323 5

Activity (Go SEA)

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