UCSF

ZINC36788996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 2.86 6.11 -115.83 4 2 2 32 214.397 4
Hi High (pH 8-9.5) 2.86 5.92 -30.41 3 2 1 30 213.389 4
Hi High (pH 8-9.5) 2.86 4.45 -39.15 3 2 1 31 213.389 4

Activity (Go SEA)

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