UCSF

ZINC44490728

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 2.41 5.26 -9.94 1 4 0 53 321.174 3
Hi High (pH 8-9.5) 2.41 6.18 -50.98 0 4 -1 56 320.166 3
Lo Low (pH 4.5-6) 2.41 5.74 -35.06 2 4 1 55 322.182 3

Activity (Go SEA)

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