UCSF

ZINC02573335

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 28 No

Other Names:

MFCD01144253

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) 4.82 7.84 -22.96 2 7 0 108 391.408 4
Hi High (pH 8-9.5) 4.89 6.39 -55.2 1 7 -1 114 390.4 4
Hi High (pH 8-9.5) 4.82 8.62 -53.89 1 7 -1 111 390.4 4

Activity (Go SEA)

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