UCSF

ZINC41211089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 15 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) 2.70 4.32 -7.33 2 3 0 52 202.257 3
Lo Low (pH 4.5-6) 2.70 4.25 -30.74 3 3 1 53 203.265 3

Activity (Go SEA)

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