UCSF

ZINC37240540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.08 7.99 -45.86 2 3 1 33 256.373 4
Lo Low (pH 4.5-6) 3.08 8.41 -83.31 3 3 2 34 257.381 4

Activity (Go SEA)

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