UCSF

ZINC20541841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 22 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) 2.28 8.45 -116.08 3 4 2 38 306.45 5
Hi High (pH 8-9.5) 2.28 3.8 -5.37 1 4 0 36 304.434 5
Mid Mid (pH 6-8) 2.28 6.08 -40.27 2 4 1 37 305.442 5

Activity (Go SEA)

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