UCSF

ZINC31841030

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 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) 2.02 6.13 -30.52 5 8 0 141 419.466 4
Lo Low (pH 4.5-6) 2.02 6.44 -42.45 6 8 1 142 420.474 4

Activity (Go SEA)

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