UCSF

ZINC36790507

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) 3.91 9.12 -131.48 4 2 2 32 280.5 6
Hi High (pH 8-9.5) 3.91 8.82 -35.12 3 2 1 30 279.492 6
Hi High (pH 8-9.5) 3.91 7.51 -41.92 3 2 1 31 279.492 6

Activity (Go SEA)

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