UCSF

ZINC37393666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 No

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) -1.79 -0.55 -43.44 3 7 1 78 285.368 4
Hi High (pH 8-9.5) -1.79 -1.86 -6.58 2 7 0 74 284.36 4
Mid Mid (pH 6-8) -1.79 1.72 -92.79 4 7 2 80 286.376 4

Activity (Go SEA)

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