UCSF

ZINC00042990

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 3.71 1.76 -11.66 0 3 0 45 260.296 2
Lo Low (pH 4.5-6) 3.71 2.34 -34.38 1 3 1 47 261.304 2

Activity (Go SEA)

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