UCSF

ZINC02722772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 35 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) 2.69 12.36 -25.39 0 10 0 121 469.457 6
Lo Low (pH 4.5-6) -1.23 13.3 -28.94 1 10 1 120 470.465 7

Activity (Go SEA)

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