UCSF

ZINC20489224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 1.15 1.56 -23.69 3 7 0 112 309.347 4
Hi High (pH 8-9.5) 1.61 0.53 -100.04 1 7 -2 117 307.331 4
Mid Mid (pH 6-8) 1.61 0.46 -44.57 2 7 -1 115 308.339 4
Mid Mid (pH 6-8) 1.15 1.62 -48 2 7 -1 114 308.339 4

Activity (Go SEA)

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