UCSF

ZINC28384817

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 14 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) 2.45 4.28 -12.22 1 3 0 47 192.214 4
Mid Mid (pH 6-8) 2.45 5.31 -56.28 0 3 -1 49 191.206 4

Activity (Go SEA)

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