UCSF

ZINC01240782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 17 Yes

Other Names:

MFCD01363819

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) 2.25 4.48 -17.47 2 5 0 67 268.729 2
Hi High (pH 8-9.5) 1.88 3.01 -45.33 1 5 -1 73 267.721 3
Mid Mid (pH 6-8) 1.88 1.84 -33.93 1 5 -1 72 267.721 3

Activity (Go SEA)

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

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