UCSF

ZINC36877261

Substance Information

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

Other Names:

MFCD21091998

MFCD24387612

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) 1.32 4 -45.16 3 4 1 55 218.28 4
Hi High (pH 8-9.5) 1.32 2.57 -8.32 2 4 0 50 217.272 4
Hi High (pH 8-9.5) 1.32 2.54 -6.83 2 4 0 50 217.272 4

Activity (Go SEA)

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