UCSF

ZINC67741746

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

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) 1.95 7.42 -51.58 3 6 1 67 338.435 4
Hi High (pH 8-9.5) 1.95 5.2 -14.26 2 6 0 66 337.427 4

Activity (Go SEA)

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