UCSF

ZINC00236682

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 No

Other Names:

MFCD03299816

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) 2.92 10.69 -13.11 0 4 0 41 320.392 3
Ref Reference (pH 7) 2.92 10.86 -13.17 0 4 0 41 320.392 3
Ref Reference (pH 7) 4.80 7.27 -8.56 2 4 0 49 320.392 3
Hi High (pH 8-9.5) 4.80 7.9 -54.62 1 4 -1 51 319.384 3

Activity (Go SEA)

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