UCSF

ZINC13652419

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 19 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) 0.15 7.3 -16.46 0 7 0 79 264.285 4
Mid Mid (pH 6-8) 0.15 7.79 -50.45 1 7 1 80 265.293 4

Activity (Go SEA)

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