UCSF

ZINC23359926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 30 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) 4.05 10.5 -23.57 1 7 0 94 420.494 7
Mid Mid (pH 6-8) 4.12 9.59 -44.05 0 7 -1 100 419.486 7

Activity (Go SEA)

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