UCSF

ZINC36616354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 2.92 10.47 -16.39 0 6 0 54 435.528 4
Mid Mid (pH 6-8) 2.92 12.69 -55.67 1 6 1 55 436.536 4

Activity (Go SEA)

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