UCSF

ZINC37591122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 17 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) -1.50 3.77 -111.36 2 7 -2 121 244.247 6
Lo Low (pH 4.5-6) -1.50 1.8 -57.1 3 7 -1 119 245.255 6

Activity (Go SEA)

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