UCSF

ZINC08820968

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 29 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) 7.16 11.48 -11.04 1 5 0 68 445.327 4
Mid Mid (pH 6-8) 6.67 11.48 -44.59 0 5 -1 66 444.319 5

Activity (Go SEA)

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