UCSF

ZINC37110554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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 5.36 -32.91 1 3 1 31 160.237 5
Mid Mid (pH 6-8) 1.41 3.48 -4.81 0 3 0 30 159.229 5

Activity (Go SEA)

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