UCSF

ZINC08398375

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 30 No

Other Names:

MFCD03784985

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) 6.90 11.7 -9.53 1 4 0 54 432.467 5
Ref Reference (pH 7) 6.90 11.31 -10.76 1 4 0 54 432.467 5

Activity (Go SEA)

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