UCSF

ZINC45685144

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) 3.13 6.93 -39.46 2 3 1 29 277.432 4
Hi High (pH 8-9.5) 3.13 5.42 -2.89 1 3 0 24 276.424 4
Lo Low (pH 4.5-6) 3.13 8.48 -125.2 3 3 2 30 278.44 4

Activity (Go SEA)

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