UCSF

ZINC37835630

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.01 7.05 -47.37 0 5 -1 64 283.392 8
Mid Mid (pH 6-8) 2.01 9.26 -73.98 1 5 0 65 284.4 8
Lo Low (pH 4.5-6) 2.00 7.29 -47.02 2 5 1 62 285.408 8

Activity (Go SEA)

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