UCSF

ZINC37078942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) -0.15 3.54 -88.81 5 4 2 69 180.255 3
Hi High (pH 8-9.5) -0.15 3.56 -32.14 4 4 1 67 179.247 3
Hi High (pH 8-9.5) -0.15 3.16 -35.6 4 4 1 68 179.247 3

Activity (Go SEA)

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