UCSF

ZINC37004796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 14 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) 1.13 3.67 -10.12 1 4 0 45 191.234 3
Lo Low (pH 4.5-6) 1.13 4.12 -31.36 2 4 1 46 192.242 3

Activity (Go SEA)

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