UCSF

ZINC45699908

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 3.10 9.15 -42.93 1 3 1 25 295.422 10
Hi High (pH 8-9.5) 3.10 6.68 -7.15 0 3 0 24 294.414 10
Mid Mid (pH 6-8) 3.10 8.82 -42.66 1 3 1 25 295.422 10
Mid Mid (pH 6-8) 3.10 11.29 -114.01 2 3 2 26 296.43 10

Activity (Go SEA)

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