UCSF

ZINC37784470

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 3.37 8.24 -47.46 2 3 1 37 316.252 4
Hi High (pH 8-9.5) 3.37 7.02 -8.22 1 3 0 32 315.244 4

Activity (Go SEA)

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