UCSF

ZINC06393229

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 29 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) 1.12 -1.96 -15.06 1 7 0 96 409.467 5
Lo Low (pH 4.5-6) 0.54 -2.15 -19.72 0 7 0 93 409.467 5
Lo Low (pH 4.5-6) 1.57 -2.22 -54.93 2 7 1 97 410.475 4

Activity (Go SEA)

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