UCSF

ZINC15015554

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 32 No

Other Names:

MFCD01836968

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) 8.59 16.85 -11.9 0 3 0 34 464.993 3
Ref Reference (pH 7) 8.59 14.87 -11.27 0 3 0 34 464.993 3
Lo Low (pH 4.5-6) 8.59 16.96 -22.66 1 3 1 36 466.001 3
Lo Low (pH 4.5-6) 8.59 15.22 -24.21 1 3 1 36 466.001 3

Activity (Go SEA)

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