UCSF

ZINC37869558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 1.58 2.56 -34.74 4 4 1 69 288.165 5
Mid Mid (pH 6-8) 1.58 1.59 -6.98 3 4 0 64 287.157 5

Activity (Go SEA)

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