UCSF

ZINC36780935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.43 3.94 -10.56 3 4 0 61 286.375 6
Hi High (pH 8-9.5) 3.43 4.65 -46.61 2 4 -1 64 285.367 6
Hi High (pH 8-9.5) 3.43 5.61 -40.62 3 4 0 69 286.375 6

Activity (Go SEA)

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