UCSF

ZINC28200381

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 27 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) 1.98 9.53 -18.87 1 6 0 73 358.401 5
Lo Low (pH 4.5-6) 1.98 9.97 -56.06 2 6 1 74 359.409 5

Activity (Go SEA)

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