UCSF

ZINC34669865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 3.78 7.42 -8.28 1 2 0 33 253.326 2
Hi High (pH 8-9.5) 4.24 5.45 -45.97 0 2 -1 36 252.318 2

Activity (Go SEA)

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