UCSF

ZINC52163210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.98 7.84 -41.84 2 3 1 34 283.823 6
Hi High (pH 8-9.5) 2.98 6.29 -8.97 1 3 0 32 282.815 6

Activity (Go SEA)

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