UCSF

ZINC01424591

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 30 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) 0.99 0.09 -21.95 3 7 0 112 401.401 1
Lo Low (pH 4.5-6) 0.99 0.2 -72.69 4 7 1 113 402.409 1

Activity (Go SEA)

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