UCSF

ZINC53126853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 0.69 4.17 -95.44 4 5 2 62 285.432 4
Hi High (pH 8-9.5) 0.69 0.62 -9.86 2 5 0 56 283.416 4
Mid Mid (pH 6-8) 0.69 1.81 -36.43 3 5 1 60 284.424 4

Activity (Go SEA)

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