UCSF

ZINC62810035

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 11 Yes

Other Names:

MFCD18267752

MFCD24387636

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) 0.02 -0.43 -40.61 2 4 1 52 152.177 2
Hi High (pH 8-9.5) 0.02 -2.13 -7.82 1 4 0 47 151.169 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.