UCSF

ZINC00702475

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 No

Other Names:

MFCD03861333

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) 5.16 11.76 -33.85 2 6 0 84 459.571 6
Mid Mid (pH 6-8) 5.62 10.38 -63.38 1 6 -1 87 458.563 6

Activity (Go SEA)

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