UCSF

ZINC37815173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.41 4.39 -51.88 3 5 1 68 282.408 3
Mid Mid (pH 6-8) 1.41 4.25 -9.46 2 5 0 67 281.4 3

Activity (Go SEA)

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