UCSF

ZINC20720302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 0.93 4.81 -9.86 2 6 0 78 282.303 1
Mid Mid (pH 6-8) 1.11 2.21 -9.91 2 6 0 82 282.303 1
Mid Mid (pH 6-8) 0.93 4.81 -10.39 2 6 0 78 282.303 1
Mid Mid (pH 6-8) 1.11 2.18 -11.72 2 6 0 82 282.303 1

Activity (Go SEA)

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