UCSF

ZINC01263015

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2004 24 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) 3.38 12.16 -14.52 1 6 0 81 321.384 3
Lo Low (pH 4.5-6) 3.38 12.6 -29.88 2 6 1 82 322.392 3

Activity (Go SEA)

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