UCSF

ZINC37180171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 1.97 5.84 -121.64 4 3 2 35 277.456 4
Hi High (pH 8-9.5) 1.97 6.65 -102.98 4 3 2 35 277.456 4
Mid Mid (pH 6-8) 1.97 4.04 -47.52 3 3 1 34 276.448 4

Activity (Go SEA)

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