UCSF

ZINC37609076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 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) 1.41 6.23 -46.22 3 5 1 64 286.355 4
Hi High (pH 8-9.5) 1.41 4.91 -9.94 2 5 0 59 285.347 4

Activity (Go SEA)

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