UCSF

ZINC23478383

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2009 26 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) 3.03 9.42 -89.84 2 4 2 15 364.553 6
Hi High (pH 8-9.5) 3.03 6.88 -38.99 1 4 1 14 363.545 6

Activity (Go SEA)

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