UCSF

ZINC36780947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 Yes

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) 3.08 2.54 -12.44 3 4 0 61 272.348 6
Hi High (pH 8-9.5) 3.08 3.31 -52.41 2 4 -1 64 271.34 6
Hi High (pH 8-9.5) 3.08 4.66 -37.06 3 4 0 69 272.348 6

Activity (Go SEA)

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