UCSF

ZINC41306812

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.78 2.43 -39.49 3 4 1 46 251.35 4
Lo Low (pH 4.5-6) 0.78 1.73 -40.76 3 4 1 49 251.35 4

Activity (Go SEA)

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