UCSF

ZINC27859782

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 29 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) 7.04 11.06 -10.99 2 4 0 71 390.479 6
Hi High (pH 8-9.5) 7.04 11.75 -61.83 1 4 -1 73 389.471 6

Activity (Go SEA)

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