UCSF

ZINC55028989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 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) 2.30 5.89 -50.29 4 7 1 88 366.511 5
Mid Mid (pH 6-8) 2.30 3.7 -17.66 3 7 0 86 365.503 5

Activity (Go SEA)

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