UCSF

ZINC34698972

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 36 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) 5.83 14.92 -17.19 0 6 0 69 489.591 9
Lo Low (pH 4.5-6) 5.83 17.43 -70.65 1 6 1 71 490.599 9

Activity (Go SEA)

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