UCSF

ZINC39911856

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) 4.86 9.79 -12.58 2 5 0 69 407.539 5
Hi High (pH 8-9.5) 4.86 10.74 -42.76 1 5 -1 72 406.531 5

Activity (Go SEA)

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