UCSF

ZINC44893638

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 0.84 4.63 -12.25 1 6 0 58 318.421 6
Mid Mid (pH 6-8) 0.84 6.91 -49.22 2 6 1 59 319.429 6

Activity (Go SEA)

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