UCSF

ZINC36877322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 Yes

Other Names:

MFCD21091999

MFCD24387613

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) 1.71 5.38 -43.43 3 3 1 45 202.281 3
Hi High (pH 8-9.5) 1.71 3.95 -9.28 2 3 0 41 201.273 3
Hi High (pH 8-9.5) 1.71 3.92 -6.88 2 3 0 41 201.273 3

Activity (Go SEA)

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