UCSF

ZINC09388463

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 31 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) 3.73 -2.81 -25.42 0 6 0 80 471.991 5
Lo Low (pH 4.5-6) 3.73 -2.79 -53.4 1 6 1 81 472.999 5

Activity (Go SEA)

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