UCSF

ZINC31087687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.51 7.94 -59.72 3 5 1 49 412.316 5
Mid Mid (pH 6-8) 4.51 5.56 -16.14 2 5 0 48 411.308 5

Activity (Go SEA)

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