UCSF

ZINC41541028

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 15 No

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) 0.50 1.39 -7.2 2 4 0 58 221.182 3
Hi High (pH 8-9.5) 0.68 -0.74 -38.37 1 4 -1 64 220.174 3

Activity (Go SEA)

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