UCSF

ZINC35358387

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

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) 1.25 1.75 -36.39 3 6 -1 99 299.282 4
Mid Mid (pH 6-8) 1.25 2.22 -37.4 4 6 0 100 300.29 4
Mid Mid (pH 6-8) 1.25 1.33 -11.48 4 6 0 97 300.29 4

Activity (Go SEA)

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