UCSF

ZINC08740264

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 No

Other Names:

MFCD03691950

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) 5.31 13.15 -67.55 0 7 -1 96 471.533 8
Mid Mid (pH 6-8) 5.76 13.13 -26.65 1 7 0 93 472.541 7

Activity (Go SEA)

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