UCSF

ZINC43981449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 14 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) 1.52 3.93 -29.36 2 3 1 29 203.35 8
Hi High (pH 8-9.5) 1.52 2.86 -0.93 1 3 0 24 202.342 8
Mid Mid (pH 6-8) 1.52 5.37 -98.27 3 3 2 30 204.358 8

Activity (Go SEA)

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