UCSF

ZINC01153787

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 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) 4.58 10.94 -41.55 0 6 -1 83 453.927 6
Mid Mid (pH 6-8) 4.00 -0.55 -19.26 0 6 0 76 454.935 6

Activity (Go SEA)

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