UCSF

ZINC36913551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 0.75 1.01 -84.95 7 5 2 97 258.325 3
Mid Mid (pH 6-8) 0.75 0.58 -44.46 6 5 1 96 257.317 3

Activity (Go SEA)

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