UCSF

ZINC00703364

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 No

Other Names:

MFCD04088688

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) 3.87 11.38 -43.97 0 8 -1 101 490.532 11
Mid Mid (pH 6-8) 3.28 1.37 -20.26 0 8 0 95 491.54 11
Mid Mid (pH 6-8) 4.31 1.14 -28.66 1 8 0 98 491.54 10

Activity (Go SEA)

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