UCSF

ZINC37445918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.64 7.14 -32.82 2 3 1 43 222.308 5
Mid Mid (pH 6-8) 2.64 6.26 -5.77 1 3 0 38 221.3 5

Activity (Go SEA)

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