UCSF

ZINC01153827

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 32 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) 3.07 9.58 -57.14 0 8 -1 113 455.443 6
Lo Low (pH 4.5-6) 3.07 8.84 -15.99 1 8 0 110 456.451 6

Activity (Go SEA)

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