UCSF

ZINC05343667

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 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) 3.21 4.41 -15.16 3 7 0 99 407.47 6
Ref Reference (pH 7) 3.21 4.5 -13.83 3 7 0 99 407.47 6
Hi High (pH 8-9.5) 3.22 5.33 -42.1 2 7 -1 102 406.462 6
Hi High (pH 8-9.5) 2.99 5.27 -47.71 1 7 -1 98 406.462 6
Hi High (pH 8-9.5) 2.99 4.79 -55.62 1 7 -1 98 406.462 6

Activity (Go SEA)

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