UCSF

ZINC44647702

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) 1.46 3.66 -50.59 4 5 1 75 262.333 5
Hi High (pH 8-9.5) 1.46 2.3 -11.59 3 5 0 70 261.325 5

Activity (Go SEA)

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