UCSF

ZINC09322274

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 23 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) 2.91 -1.02 -11.49 0 4 0 46 343.477 5
Lo Low (pH 4.5-6) 2.91 -0.89 -41.88 1 4 1 47 344.485 5

Activity (Go SEA)

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