UCSF

ZINC35033430

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.04 12.12 -40.03 2 2 1 34 310.461 6
Mid Mid (pH 6-8) 5.04 11.05 -7.12 1 2 0 29 309.453 6

Activity (Go SEA)

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