UCSF

ZINC05162045

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 16 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) 1.04 -0.42 -8.97 3 4 0 62 223.272 4
Lo Low (pH 4.5-6) 1.04 0.11 -33.21 4 4 1 66 224.28 4

Activity (Go SEA)

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