UCSF

ZINC01882088

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 33 No

Other Names:

MFCD00805400

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) 6.78 13.46 -12.43 0 5 0 52 436.511 8
Ref Reference (pH 7) 6.78 10.83 -9.05 0 5 0 52 436.511 8
Ref Reference (pH 7) 6.78 12.19 -10.51 0 5 0 52 436.511 8
Lo Low (pH 4.5-6) 6.78 12.73 -40.57 1 5 1 54 437.519 8
Lo Low (pH 4.5-6) 6.78 13.76 -36.16 1 5 1 54 437.519 8
Lo Low (pH 4.5-6) 6.78 12.53 -32.45 1 5 1 54 437.519 8
Lo Low (pH 4.5-6) 6.78 11.26 -34.68 1 5 1 54 437.519 8

Activity (Go SEA)

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