UCSF

ZINC44609254

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 0.45 2.37 -39.46 2 3 1 33 226.369 3
Hi High (pH 8-9.5) 0.45 1.19 -4.8 1 3 0 28 225.361 3
Lo Low (pH 4.5-6) 0.45 4.83 -104.81 3 3 2 34 227.377 3

Activity (Go SEA)

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