UCSF

ZINC00341788

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 2.54 -1.05 -11.66 1 3 0 41 276.339 4
Lo Low (pH 4.5-6) 2.54 -0.94 -44.17 2 3 1 43 277.347 4

Activity (Go SEA)

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