UCSF

ZINC31869803

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 2.04 5.41 -23.94 1 7 0 84 372.431 4
Hi High (pH 8-9.5) 1.85 4.33 -55.81 0 7 -1 91 371.423 4

Activity (Go SEA)

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