UCSF

ZINC34888027

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 38 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) 5.70 13.48 -57.82 0 6 -1 79 516.589 9
Lo Low (pH 4.5-6) 5.70 12.74 -15.27 1 6 0 76 517.597 9

Activity (Go SEA)

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