UCSF

ZINC08816975

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 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) 3.55 11.97 -72.04 1 9 0 120 467.522 11
Mid Mid (pH 6-8) 2.97 1.64 -55.73 1 9 1 113 468.53 11

Activity (Go SEA)

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