UCSF

ZINC03425812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 30 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) 3.28 4.45 -64.67 1 7 -1 112 421.454 5
Lo Low (pH 4.5-6) 2.76 6.45 -27.45 2 7 0 105 422.462 5
Lo Low (pH 4.5-6) 3.28 4 -22.78 2 7 0 109 422.462 5

Activity (Go SEA)

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