UCSF

ZINC44215365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) -0.07 5.12 -43.28 3 3 0 68 251.179 4
Hi High (pH 8-9.5) -0.07 4.82 -46.08 2 3 -1 66 250.171 4

Activity (Go SEA)

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