UCSF

ZINC25143680

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 25 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) 1.95 9.54 -24.99 1 7 0 86 356.407 5
Hi High (pH 8-9.5) 2.02 8.63 -51.5 0 7 -1 92 355.399 5

Activity (Go SEA)

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