UCSF

ZINC42947354

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 2.08 7.69 -112.02 4 3 2 47 265.788 4
Hi High (pH 8-9.5) 2.08 7.43 -6.59 2 3 0 44 263.772 4
Mid Mid (pH 6-8) 2.08 7.3 -51.35 3 3 1 45 264.78 4

Activity (Go SEA)

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