UCSF

ZINC44624370

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 12 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) -1.84 3.25 -62.56 2 5 0 77 174.2 5
Hi High (pH 8-9.5) -1.84 1.81 -51.8 1 5 -1 72 173.192 5

Activity (Go SEA)

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