UCSF

ZINC03636237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 Yes

Other Names:

MFCD01696716

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) 1.91 3.18 -41.71 4 3 1 49 223.34 7
Hi High (pH 8-9.5) 1.91 1.82 -3.44 3 3 0 44 222.332 7

Activity (Go SEA)

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