UCSF

ZINC36199577

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 2.69 5.79 -52.7 3 4 1 65 313.487 8
Hi High (pH 8-9.5) 2.69 5.43 -9.08 2 4 0 63 312.479 8

Activity (Go SEA)

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