UCSF

ZINC45169117

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 36 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) 7.06 15.1 -16.33 3 7 0 88 473.536 8
Lo Low (pH 4.5-6) 7.06 15.59 -40.9 4 7 1 89 474.544 8

Activity (Go SEA)

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