UCSF

ZINC44677155

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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 7.46 -41.5 2 3 1 37 245.346 4
Hi High (pH 8-9.5) 1.55 6.18 -8.97 1 3 0 32 244.338 4

Activity (Go SEA)

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