UCSF

ZINC22738487

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 21 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) 0.49 4.02 -25.05 1 6 0 89 323.399 4
Hi High (pH 8-9.5) 0.56 3.12 -53.74 0 6 -1 95 322.391 4

Activity (Go SEA)

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