UCSF

ZINC02945095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 27 Yes

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) 4.59 7.23 -12.87 2 5 0 59 421.25 5
Mid Mid (pH 6-8) 4.77 7.73 -35.14 3 5 1 64 422.258 5

Activity (Go SEA)

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