UCSF

ZINC15015623

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 20 No

Other Names:

MFCD01919235

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) 5.35 8.11 -6.48 1 3 0 45 365.277 2
Ref Reference (pH 7) 5.35 7.69 -6.3 1 3 0 45 365.277 2
Ref Reference (pH 7) 4.86 7.57 -37.45 0 3 -1 44 364.269 3
Hi High (pH 8-9.5) 5.81 5.63 -43.23 0 3 -1 48 364.269 2
Hi High (pH 8-9.5) 5.81 6.3 -42.34 0 3 -1 48 364.269 2

Activity (Go SEA)

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