UCSF

ZINC08384281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 35 No

Other Names:

MFCD04088697

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) 4.89 12.19 -42.72 0 6 -1 79 468.529 10
Mid Mid (pH 6-8) 4.30 0.59 -19.02 0 6 0 72 469.537 10
Mid Mid (pH 6-8) 5.33 0.36 -26.46 1 6 0 76 469.537 9

Activity (Go SEA)

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