UCSF

ZINC04162389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 32 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) 5.65 13.38 -41.52 1 5 1 53 429.54 7
Lo Low (pH 4.5-6) 5.65 13.81 -98.87 2 5 2 54 430.548 7

Activity (Go SEA)

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