UCSF

ZINC87493266

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 27 Yes

Other Names:

MFCD02682480

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) 3.16 13.14 -55.47 0 5 -1 70 378.429 6
Hi High (pH 8-9.5) 2.56 4.93 -26.08 4 10 0 139 475.431 6

Activity (Go SEA)

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

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