UCSF

ZINC66582775

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2011 17 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) 3.09 3.69 -43.93 0 4 -1 57 321.216 5
Lo Low (pH 4.5-6) 3.09 3.64 -9.2 1 4 0 55 322.224 5

Activity (Go SEA)

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