UCSF

ZINC39911543

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 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) 3.88 6.39 -14.75 3 7 0 99 433.508 8
Hi High (pH 8-9.5) 3.88 7.19 -46.5 2 7 -1 102 432.5 8

Activity (Go SEA)

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