UCSF

ZINC12032376

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 30 No

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) 2.47 7.68 -17.71 1 6 0 64 512.495 9
Mid Mid (pH 6-8) 2.47 9.96 -52.19 2 6 1 65 513.503 9

Activity (Go SEA)

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