UCSF

ZINC51003533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 19 No

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) 1.43 6.52 -18.7 0 7 0 90 261.237 5
Hi High (pH 8-9.5) 5.42 11.38 -46.34 0 4 -1 64 348.385 2

Activity (Go SEA)

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