UCSF

ZINC20449251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 25 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) 3.36 2.75 -46.64 2 6 -1 94 355.395 5
Mid Mid (pH 6-8) 3.36 3.16 -23.42 3 6 0 92 356.403 5

Activity (Go SEA)

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