UCSF

ZINC09378598

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 24 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) 1.64 -6.91 -19.11 3 8 0 113 349.416 5
Hi High (pH 8-9.5) 1.64 -6.34 -56.84 2 8 -1 115 348.408 5

Activity (Go SEA)

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