UCSF

ZINC36743395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.37 1.65 -36.73 2 6 -1 100 345.198 3
Mid Mid (pH 6-8) 1.37 1.31 -9.7 3 6 0 98 346.206 3

Activity (Go SEA)

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