UCSF

ZINC49754483

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 2.60 9.11 -51.79 2 4 1 57 316.469 4
Mid Mid (pH 6-8) 2.60 6.87 -11.3 1 4 0 56 315.461 4

Activity (Go SEA)

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