UCSF

ZINC42915853

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.03 6.51 -105.43 4 3 2 47 235.306 3
Hi High (pH 8-9.5) 1.03 5.71 -7.92 2 3 0 44 233.29 3
Mid Mid (pH 6-8) 1.03 6.01 -55.9 3 3 1 45 234.298 3

Activity (Go SEA)

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