UCSF

ZINC39914515

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 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) 5.33 9.59 -9.28 2 5 0 69 407.901 5
Mid Mid (pH 6-8) 5.33 10.35 -46.25 1 5 -1 72 406.893 5

Activity (Go SEA)

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