UCSF

ZINC20303558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 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) -0.86 0.3 -57.76 2 5 0 69 202.254 6
Lo Low (pH 4.5-6) -0.86 2.7 -118.34 3 5 1 70 203.262 6

Activity (Go SEA)

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