UCSF

ZINC43445041

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.35 4.34 -56 3 6 1 92 255.294 8
Hi High (pH 8-9.5) 1.35 2.9 -11.43 2 6 0 87 254.286 8

Activity (Go SEA)

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