UCSF

ZINC04156837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 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) 5.69 13.19 -13.17 1 5 0 51 372.472 4
Lo Low (pH 4.5-6) 5.69 13.58 -23.97 2 5 1 53 373.48 4

Activity (Go SEA)

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