UCSF

ZINC19582795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 26 No

Other Names:

MFCD02048181

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) 2.41 9.45 -71.62 1 5 0 65 350.418 6
Hi High (pH 8-9.5) 2.41 6.93 -59.97 0 5 -1 64 349.41 6

Activity (Go SEA)

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