UCSF

ZINC22942517

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 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) 3.65 8.37 -49.32 3 6 1 66 464.417 7
Mid Mid (pH 6-8) 3.65 8.39 -48.39 3 6 1 66 464.417 7
Mid Mid (pH 6-8) 3.65 6.11 -8.56 2 6 0 65 463.409 7

Activity (Go SEA)

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