UCSF

ZINC13464035

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 21 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) 3.03 1.96 -49.28 2 6 -1 107 371.188 4
Hi High (pH 8-9.5) 3.03 2.05 -117.8 1 6 -2 109 370.18 4

Activity (Go SEA)

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