UCSF

ZINC36682599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) 0.90 2.34 -51 4 5 1 79 247.274 5
Hi High (pH 8-9.5) 0.90 1.91 -9.91 3 5 0 77 246.266 5

Activity (Go SEA)

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