UCSF

ZINC04736946

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 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) 3.30 7.32 -19.12 1 7 0 75 409.486 9
Mid Mid (pH 6-8) 3.78 -1.09 -40.06 1 7 1 74 410.494 9

Activity (Go SEA)

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