UCSF

ZINC36767470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 4.82 6.47 -36.34 3 2 1 37 317.623 3
Mid Mid (pH 6-8) 4.82 6.12 -5.19 2 2 0 35 316.615 3

Activity (Go SEA)

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