UCSF

ZINC69662786

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 23 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) 1.11 7.68 -87.72 3 6 2 56 321.469 5
Hi High (pH 8-9.5) 1.11 5.73 -43.53 2 6 1 55 320.461 5

Activity (Go SEA)

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