UCSF

ZINC45693824

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.92 6.92 -32.38 2 4 1 34 253.414 8
Mid Mid (pH 6-8) 1.92 5.45 -34.26 2 4 1 38 253.414 8
Mid Mid (pH 6-8) 1.92 7.71 -105.63 3 4 2 39 254.422 8

Activity (Go SEA)

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