UCSF

ZINC36785606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 4.12 8.91 -111.68 3 2 2 21 238.419 4
Hi High (pH 8-9.5) 4.12 6.38 -31.09 2 2 1 20 237.411 4
Hi High (pH 8-9.5) 4.12 7.72 -30.82 2 2 1 16 237.411 4

Activity (Go SEA)

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