UCSF

ZINC58194559

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 27 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) 2.35 8.72 -15.75 1 7 0 84 368.437 7
Lo Low (pH 4.5-6) 2.35 8.89 -38.51 2 7 1 86 369.445 7

Activity (Go SEA)

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