UCSF

ZINC00950135

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 25 Yes

Other Names:

MFCD06638163

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) 4.40 6.6 -33.76 4 5 1 78 376.889 3
Mid Mid (pH 6-8) 4.40 6.2 -9.9 3 5 0 77 375.881 3

Activity (Go SEA)

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