UCSF

ZINC46034714

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 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) 2.06 4.42 -41.71 2 4 1 51 287.38 5
Hi High (pH 8-9.5) 2.06 2.21 -9.83 1 4 0 49 286.372 5

Activity (Go SEA)

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