UCSF

ZINC37052713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.55 2.38 -38.6 4 5 1 77 318.438 7
Hi High (pH 8-9.5) 1.55 0.23 -9.52 3 5 0 75 317.43 7

Activity (Go SEA)

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