UCSF

ZINC00205575

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) 2.94 7.7 -10.71 1 4 0 45 281.359 2
Lo Low (pH 4.5-6) 2.94 8.29 -29.54 2 4 1 46 282.367 2

Activity (Go SEA)

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