UCSF

ZINC41781411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 0.05 1.32 -15.08 2 6 0 79 253.302 3
Hi High (pH 8-9.5) 0.23 -1.34 -48.41 1 6 -1 85 252.294 3

Activity (Go SEA)

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