UCSF

ZINC36089629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 26 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) 2.28 6.74 -41.56 2 6 1 59 358.462 7
Mid Mid (pH 6-8) 2.28 4.49 -9.24 1 6 0 58 357.454 7
Mid Mid (pH 6-8) 2.28 6.3 -36.1 2 6 1 59 358.462 7

Activity (Go SEA)

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