UCSF

ZINC40405507

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 3.59 10.33 -48.6 1 3 1 22 280.823 6
Hi High (pH 8-9.5) 3.59 8.21 -6.43 0 3 0 21 279.815 6
Lo Low (pH 4.5-6) 3.59 10.62 -95.66 2 3 2 24 281.831 6

Activity (Go SEA)

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