UCSF

ZINC39952320

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 23 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) 3.09 10.94 -154.15 3 4 1 61 311.405 5
Hi High (pH 8-9.5) 3.09 7.4 -50.03 1 4 -1 55 309.389 5
Mid Mid (pH 6-8) 3.09 8.68 -77.23 2 4 0 60 310.397 5

Activity (Go SEA)

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