UCSF

ZINC13750617

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 22 No

Other Names:

MFCD01919747

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) 5.61 8.85 -7.32 1 3 0 45 377.238 2
Ref Reference (pH 7) 5.61 8.43 -7.01 1 3 0 45 377.238 2
Ref Reference (pH 7) 5.12 8.32 -36.99 0 3 -1 44 376.23 3

Activity (Go SEA)

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