UCSF

ZINC09288362

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 26 No

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) 3.37 -3.38 -15.68 1 9 0 126 436.247 6
Lo Low (pH 4.5-6) 3.37 -3.73 -39.86 2 9 1 127 437.255 6

Activity (Go SEA)

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