UCSF

ZINC34679081

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 4.43 15.95 -8.63 0 6 0 53 451.59 3
Lo Low (pH 4.5-6) 4.43 16.39 -28.24 1 6 1 54 452.598 3
Lo Low (pH 4.5-6) 4.43 16.34 -30.98 1 6 1 54 452.598 3

Activity (Go SEA)

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