UCSF

ZINC31848696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 28 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) 4.07 8.76 -21.72 2 6 0 88 408.508 5
Mid Mid (pH 6-8) 4.53 7.41 -53.72 1 6 -1 91 407.5 5
Mid Mid (pH 6-8) 4.07 9.25 -18.69 2 6 0 88 408.508 5

Activity (Go SEA)

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