UCSF

ZINC43983947

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.37 7.65 -41.34 2 3 1 29 305.364 8
Hi High (pH 8-9.5) 3.37 4.5 -4.78 1 3 0 24 304.356 8
Mid Mid (pH 6-8) 3.37 6.7 -36.82 2 3 1 26 305.364 8
Lo Low (pH 4.5-6) 3.37 7.18 -117.41 3 3 2 30 306.372 8

Activity (Go SEA)

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