UCSF

ZINC20648046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 30 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) 3.25 8.29 -56.53 1 6 1 56 407.49 4
Hi High (pH 8-9.5) 3.25 5.31 -11.79 0 6 0 55 406.482 4
Lo Low (pH 4.5-6) 3.25 7.65 -55.38 1 6 1 56 407.49 4

Activity (Go SEA)

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