UCSF

ZINC00201030

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 3.35 9.14 -16.09 1 4 0 47 321.424 5
Lo Low (pH 4.5-6) 3.35 9.33 -36.66 2 4 1 48 322.432 5
Lo Low (pH 4.5-6) 3.87 6 -30.1 2 4 1 52 322.432 5

Activity (Go SEA)

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