UCSF

ZINC45696153

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 13 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) 0.72 3.92 -42.89 2 4 1 52 190.263 8
Mid Mid (pH 6-8) 0.72 2.72 -6.38 1 4 0 48 189.255 8

Activity (Go SEA)

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