UCSF

ZINC08438679

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 29 No

Other Names:

MFCD03779458

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) 3.08 6.34 -59.52 1 6 -1 90 479.734 8
Mid Mid (pH 6-8) 3.52 -4.04 -29.46 2 6 0 87 480.742 7
Mid Mid (pH 6-8) 2.49 -3.83 -18.94 1 6 0 83 480.742 8

Activity (Go SEA)

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