UCSF

ZINC20471753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 Yes

Other Names:

MFCD12469364

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) 3.28 5.13 -6.86 2 3 0 41 261.296 4
Hi High (pH 8-9.5) 3.28 5.92 -47.74 1 3 -1 44 260.288 4

Activity (Go SEA)

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