UCSF

ZINC04736940

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 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) 3.42 7.78 -20.11 1 7 0 75 421.497 7
Mid Mid (pH 6-8) 3.90 -1.91 -36.84 1 7 1 74 422.505 7

Activity (Go SEA)

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