UCSF

ZINC12507606

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 26 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) 1.76 7.03 -16.97 0 7 0 76 394.522 5
Mid Mid (pH 6-8) 1.76 7.49 -49.02 1 7 1 77 395.53 5

Activity (Go SEA)

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