UCSF

ZINC05343666

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 4.93 -15.7 3 7 0 99 407.47 6
Ref Reference (pH 7) 3.21 4.87 -13.1 3 7 0 99 407.47 6
Hi High (pH 8-9.5) 3.22 5.68 -50.86 2 7 -1 102 406.462 6
Hi High (pH 8-9.5) 2.99 4.71 -58.33 1 7 -1 98 406.462 6
Hi High (pH 8-9.5) 2.99 4.69 -56.13 1 7 -1 98 406.462 6

Activity (Go SEA)

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