UCSF

ZINC33922479

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 18 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) -2.13 -2.7 -46.01 6 7 1 115 259.33 6
Mid Mid (pH 6-8) -2.13 -3.02 -9.59 5 7 0 113 258.322 6

Activity (Go SEA)

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