UCSF

ZINC37800909

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -0.70 -1.82 -49.19 4 7 1 89 299.395 5
Mid Mid (pH 6-8) -0.70 0.32 -106.65 5 7 2 91 300.403 5

Activity (Go SEA)

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