UCSF

ZINC08408054

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 36 Yes

Other Names:

MFCD01461189

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) 6.99 1.03 -12.1 1 1 0 56 494.616 5
Mid Mid (pH 6-8) 6.99 15.61 -36.43 2 5 1 58 495.624 8

Activity (Go SEA)

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