UCSF

ZINC20188544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 2.88 4.65 -50.7 3 4 1 63 285.433 9
Hi High (pH 8-9.5) 2.88 3.24 -9.24 2 4 0 58 284.425 9

Activity (Go SEA)

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