UCSF

ZINC01513975

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 13 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) 1.74 4.97 -6.98 1 3 0 38 171.203 2
Lo Low (pH 4.5-6) 1.74 5.07 -30.64 2 3 1 39 172.211 2
Lo Low (pH 4.5-6) 1.74 5.26 -31.16 2 3 1 39 172.211 2
Lo Low (pH 4.5-6) 1.74 5.36 -85.87 3 3 2 40 173.219 2

Activity (Go SEA)

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