UCSF

ZINC01049970

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 23 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) 3.46 9.04 -37.24 0 4 -1 60 418.21 3
Mid Mid (pH 6-8) 2.88 -0.86 -18.86 0 4 0 54 419.218 3

Activity (Go SEA)

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