UCSF

ZINC20467956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 18 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) 1.16 4.93 -48.78 2 6 1 74 252.294 3
Mid Mid (pH 6-8) 1.16 2.46 -10.69 1 6 0 73 251.286 3

Activity (Go SEA)

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