UCSF

ZINC25075403

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 30 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) 3.51 13.51 -41.41 1 6 1 53 437.515 7
Hi High (pH 8-9.5) 3.51 11.25 -15 0 6 0 52 436.507 7

Activity (Go SEA)

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