UCSF

ZINC42777180

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.23 8.45 -39.16 2 4 1 38 281.468 7
Hi High (pH 8-9.5) 3.23 7.04 -4.11 1 4 0 33 280.46 7
Mid Mid (pH 6-8) 3.23 8.58 -94.46 3 4 2 39 282.476 7

Activity (Go SEA)

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