UCSF

ZINC13570952

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 28 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) 1.47 8.69 -76.14 1 7 0 91 383.448 8
Mid Mid (pH 6-8) 1.47 8.39 -95.53 2 7 1 92 384.456 8

Activity (Go SEA)

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