UCSF

ZINC42205868

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 3.21 5.86 -3.83 0 2 0 12 302.187 2
Lo Low (pH 4.5-6) 3.21 7.8 -37.69 1 2 1 14 303.195 2

Activity (Go SEA)

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