UCSF

ZINC25083279

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 23 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) 1.76 4.8 -17.97 2 7 0 97 330.369 6
Hi High (pH 8-9.5) 1.76 4.88 -48.3 1 7 -1 95 329.361 6

Activity (Go SEA)

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