UCSF

ZINC08908896

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 31 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) 2.79 -0.24 -17.84 1 8 0 99 417.421 6
Lo Low (pH 4.5-6) 2.79 -0.13 -42.05 2 8 1 100 418.429 6

Activity (Go SEA)

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