UCSF

ZINC39912018

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 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) 5.60 10.51 -9.82 2 5 0 69 407.489 6
Hi High (pH 8-9.5) 5.37 10.7 -55.97 0 5 -1 68 406.481 6
Hi High (pH 8-9.5) 5.37 10.55 -56.84 0 5 -1 68 406.481 6
Hi High (pH 8-9.5) 5.60 11.15 -48.12 1 5 -1 72 406.481 6

Activity (Go SEA)

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