UCSF

ZINC44133428

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 1.27 2.6 -10.04 1 5 0 55 286.331 5
Mid Mid (pH 6-8) 1.27 5.01 -44.9 2 5 1 56 287.339 5
Mid Mid (pH 6-8) 1.27 2.66 -36.81 2 5 1 56 287.339 5

Activity (Go SEA)

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