UCSF

ZINC19938387

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 37 No

Other Names:

MFCD03861406

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) 3.38 9.36 -60.79 0 8 -1 95 501.559 9
Mid Mid (pH 6-8) 3.38 11.7 -75.05 1 8 0 96 502.567 9

Activity (Go SEA)

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