UCSF

ZINC25147449

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 22 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) 0.42 2.17 -17.6 2 7 0 103 323.374 3
Hi High (pH 8-9.5) 1.33 1.11 -47.82 1 7 -1 106 322.366 3

Activity (Go SEA)

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