UCSF

ZINC61994540

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 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) 0.80 5.66 -38.77 3 5 1 58 272.376 7
Lo Low (pH 4.5-6) 0.80 5.99 -112.49 4 5 2 63 273.384 7

Activity (Go SEA)

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