UCSF

ZINC04311972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 27 No

Other Names:

MFCD02158330

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) 3.81 9.66 -60.86 0 5 -1 73 395.847 4
Mid Mid (pH 6-8) 4.25 -0.02 -16.22 1 5 0 70 396.855 3
Mid Mid (pH 6-8) 3.22 -0.79 -13.22 0 5 0 67 396.855 4

Activity (Go SEA)

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