UCSF

ZINC04144424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 31 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) 2.81 8.69 -13.47 3 8 0 101 419.485 7
Mid Mid (pH 6-8) 2.98 9.21 -48.29 4 8 1 106 420.493 7

Activity (Go SEA)

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