UCSF

ZINC22793577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 27 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) 2.90 6.52 -44.65 2 6 1 63 384.399 10
Hi High (pH 8-9.5) 2.90 5.05 -12.38 1 6 0 58 383.391 10

Activity (Go SEA)

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