UCSF

ZINC62968307

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 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 3.66 -97.81 3 3 2 29 186.299 3
Mid Mid (pH 6-8) 0.26 1.21 -32.88 2 3 1 28 185.291 3
Mid Mid (pH 6-8) 0.26 1.25 -30.23 2 3 1 28 185.291 3

Activity (Go SEA)

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