UCSF

ZINC49552997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 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) 1.78 3.01 -23.25 2 7 0 93 339.417 8
Lo Low (pH 4.5-6) 1.78 4.32 -58.15 3 7 1 98 340.425 8

Activity (Go SEA)

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