UCSF

ZINC37079855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.78 8.76 -114.68 4 2 2 32 282.431 6
Hi High (pH 8-9.5) 1.78 7.83 -1.19 2 2 0 29 280.415 6
Hi High (pH 8-9.5) 1.78 9.02 -36.45 3 2 1 31 281.423 6
Mid Mid (pH 6-8) 1.78 8.43 -30.58 3 2 1 30 281.423 6

Activity (Go SEA)

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