UCSF

ZINC19369482

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 Yes

Other Names:

MFCD04147642

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) 4.74 12.08 -37.38 1 3 1 17 403.999 5
Mid Mid (pH 6-8) 4.74 11.25 -38.09 1 3 1 17 403.999 5
Mid Mid (pH 6-8) 4.74 9.69 -4.12 0 3 0 16 402.991 5

Activity (Go SEA)

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