UCSF

ZINC42562432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 0.25 3.66 -58.94 2 6 -1 98 255.294 4
Lo Low (pH 4.5-6) 0.25 1.63 -13.06 3 6 0 95 256.302 4

Activity (Go SEA)

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