UCSF

ZINC41124026

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 0.46 2.92 -91.06 4 4 2 49 244.379 3
Hi High (pH 8-9.5) 0.46 1.19 -27.23 3 4 1 48 243.371 3
Mid Mid (pH 6-8) 0.46 0.81 -31.48 3 4 1 48 243.371 3

Activity (Go SEA)

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