UCSF

ZINC37233418

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

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) 3.11 7.79 -33.59 2 3 1 29 356.328 5
Mid Mid (pH 6-8) 3.11 10.08 -32.8 2 3 1 26 356.328 5

Activity (Go SEA)

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