UCSF

ZINC19318784

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 16 Yes

Other Names:

MFCD02063002

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) 2.76 4.64 -6.24 1 2 0 24 210.28 2
Lo Low (pH 4.5-6) 2.76 6.03 -46.56 2 2 1 29 211.288 2

Activity (Go SEA)

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

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