UCSF

ZINC34659394

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 0.67 2.29 -48.66 5 6 1 98 317.163 5
Hi High (pH 8-9.5) 0.67 0.84 -22.52 4 6 0 93 316.155 5

Activity (Go SEA)

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