UCSF

ZINC40532410

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) -0.98 6.02 -112.91 1 7 -2 113 256.258 5
Lo Low (pH 4.5-6) -0.98 4.04 -58.95 2 7 -1 110 257.266 5

Activity (Go SEA)

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