UCSF

ZINC09421885

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 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) 0.70 -1.95 -20.06 1 8 0 97 423.469 5
Lo Low (pH 4.5-6) 0.70 -1.84 -54.5 2 8 1 99 424.477 5

Activity (Go SEA)

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