UCSF

ZINC37020798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 1.53 4.52 -44.31 4 3 1 57 300.22 5
Hi High (pH 8-9.5) 1.53 4.17 -6.34 3 3 0 55 299.212 5

Activity (Go SEA)

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