UCSF

ZINC42467990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.26 1.09 -34.72 3 4 1 49 231.36 8
Hi High (pH 8-9.5) 0.26 -0.35 -3.12 2 4 0 45 230.352 8
Mid Mid (pH 6-8) 0.26 3.73 -36.55 3 4 1 53 231.36 8

Activity (Go SEA)

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