UCSF

ZINC18541058

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2008 18 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) 3.34 5.79 -7.93 4 4 0 78 260.366 3
Lo Low (pH 4.5-6) 3.34 6.06 -30.16 5 4 1 79 261.374 3
Lo Low (pH 4.5-6) 3.34 6.36 -98.56 6 4 2 80 262.382 3

Activity (Go SEA)

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