UCSF

ZINC08628415

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2007 30 No

Other Names:

MFCD02954830

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) 6.50 12.87 -8.84 0 5 0 47 423.582 8
Mid Mid (pH 6-8) 6.50 12.37 -40.33 1 5 0 48 424.59 8
Mid Mid (pH 6-8) 6.50 12.97 -40.32 1 5 0 48 424.59 8

Activity (Go SEA)

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