UCSF

ZINC36251570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 1.29 4.34 -13.75 1 6 0 62 337.464 7
Lo Low (pH 4.5-6) 1.29 6.37 -46.4 2 6 1 63 338.472 7

Activity (Go SEA)

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