UCSF

ZINC45703048

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 No

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) 3.30 5.52 -5.18 0 3 0 25 302.871 4
Lo Low (pH 4.5-6) 3.30 7.46 -35.14 1 3 1 27 303.879 4

Activity (Go SEA)

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