UCSF

ZINC45662498

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 Yes

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) 3.39 4.92 -50.06 3 3 1 40 317.906 4
Hi High (pH 8-9.5) 3.39 4.57 -2.64 2 3 0 38 316.898 4
Lo Low (pH 4.5-6) 3.39 7.08 -121.12 4 3 2 41 318.914 4

Activity (Go SEA)

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