UCSF

ZINC37033915

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) 1.57 4.03 -44.07 4 4 1 60 256.757 4
Hi High (pH 8-9.5) 1.57 3.7 -7.42 3 4 0 58 255.749 4

Activity (Go SEA)

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