UCSF

ZINC06125078

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 21 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) 2.36 6.73 -15.93 1 6 0 88 305.721 4
Lo Low (pH 4.5-6) 2.36 7.01 -54.29 2 6 1 89 306.729 4

Activity (Go SEA)

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