UCSF

ZINC00339783

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Other Names:

MFCD05155367

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) 2.69 1.7 -46.07 0 6 -1 80 327.769 5
Mid Mid (pH 6-8) 2.69 1.64 -10.34 1 6 0 78 328.777 5

Activity (Go SEA)

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