UCSF

ZINC42458519

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 No

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) 1.01 3.8 -7.61 3 6 0 88 237.307 5
Mid Mid (pH 6-8) 1.01 4.17 -34.69 4 6 1 89 238.315 5

Activity (Go SEA)

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