UCSF

ZINC49740664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 27 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) 3.42 9.86 -44.81 2 4 1 37 378.418 5
Mid Mid (pH 6-8) 3.42 7.51 -7.93 1 4 0 36 377.41 5

Activity (Go SEA)

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