UCSF

ZINC34105084

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 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) 4.04 9.62 -47.27 2 5 1 46 409.337 6
Mid Mid (pH 6-8) 4.04 7.42 -9.46 1 5 0 45 408.329 6

Activity (Go SEA)

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