UCSF

ZINC37820949

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.30 0.2 -52.19 6 6 1 103 271.385 6
Hi High (pH 8-9.5) 0.30 -0.14 -14.69 5 6 0 101 270.377 6

Activity (Go SEA)

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