UCSF

ZINC25540195

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 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) 1.11 5.82 -20.22 2 9 0 101 406.446 6
Mid Mid (pH 6-8) 1.11 6.29 -51.27 3 9 1 103 407.454 6
Lo Low (pH 4.5-6) 1.11 8.55 -91.34 4 9 2 104 408.462 6

Activity (Go SEA)

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