UCSF

ZINC36889231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 1.95 5.6 -47.23 2 3 1 37 227.372 4
Mid Mid (pH 6-8) 1.95 4.31 -6.63 1 3 0 32 226.364 4

Activity (Go SEA)

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