UCSF

ZINC70247898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2011 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) 1.17 4.68 -10.51 1 4 0 39 257.337 1
Mid Mid (pH 6-8) 1.17 7.04 -45.49 2 4 1 41 258.345 1

Activity (Go SEA)

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