UCSF

ZINC95748660

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2014 18 Yes

Other Names:

MFCD06245347

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) 0.58 5.3 -51.4 3 3 1 53 238.314 3
Hi High (pH 8-9.5) 0.58 4.92 -8.29 2 3 0 51 237.306 3

Activity (Go SEA)

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

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