UCSF

ZINC01118388

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) 4.37 13.14 -15.16 0 8 0 109 427.416 3
Lo Low (pH 4.5-6) 4.37 13.4 -40.3 1 8 1 110 428.424 3

Activity (Go SEA)

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