UCSF

ZINC37027552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 3.56 6.56 -42.3 4 3 1 57 269.453 5
Hi High (pH 8-9.5) 3.56 6.26 -4.49 3 3 0 55 268.445 5

Activity (Go SEA)

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