UCSF

ZINC22859349

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 13 No

Other Names:

(13)aneN4

MFCD06410986

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) -1.82 -2.12 -106.71 6 4 2 57 188.319 0
Hi High (pH 8-9.5) -1.82 -2.48 -35.32 5 4 1 53 187.311 0
Lo Low (pH 4.5-6) -1.82 -0.65 -217.21 7 4 3 62 189.327 0

Activity (Go SEA)

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