UCSF

ZINC42915878

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 3.27 9.37 -52.35 3 3 1 45 280.395 4
Hi High (pH 8-9.5) 3.27 9.06 -7.28 2 3 0 44 279.387 4
Mid Mid (pH 6-8) 3.27 9.86 -103.77 4 3 2 47 281.403 4

Activity (Go SEA)

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