UCSF

ZINC44648731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 1.05 3 -47.22 4 5 1 75 266.296 4
Hi High (pH 8-9.5) 1.05 1.65 -11.52 3 5 0 70 265.288 4

Activity (Go SEA)

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