UCSF

ZINC37229408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.67 7.44 -114.51 3 5 2 51 285.432 7
Hi High (pH 8-9.5) 1.67 6.24 -38.59 2 5 1 46 284.424 7
Mid Mid (pH 6-8) 1.67 5.06 -48.17 2 5 1 49 284.424 7

Activity (Go SEA)

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