UCSF

ZINC37084799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.69 5.77 -10.9 1 5 0 56 267.336 3
Lo Low (pH 4.5-6) 1.69 6.23 -44.58 2 5 1 57 268.344 3

Activity (Go SEA)

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