UCSF

ZINC08618616

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 27 No

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) -2.93 -8.14 -53.65 6 11 -1 189 389.333 5
Lo Low (pH 4.5-6) -2.93 -10.04 -13.74 7 11 0 186 390.341 5

Activity (Go SEA)

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