UCSF

ZINC35118180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 0.99 2.37 -33.01 2 7 -1 109 274.256 5
Mid Mid (pH 6-8) 0.99 2.88 -16.12 3 7 0 111 275.264 5

Activity (Go SEA)

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