UCSF

ZINC37126056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 5.60 9.1 -2.15 1 2 0 21 261.409 4
Lo Low (pH 4.5-6) 5.60 8.93 -28.1 2 2 1 26 262.417 4

Activity (Go SEA)

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