UCSF

ZINC36981668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.10 4.9 -48.83 1 6 -1 102 349.772 4
Mid Mid (pH 6-8) 2.17 4.6 -117.72 0 6 -2 101 348.764 5

Activity (Go SEA)

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