UCSF

ZINC09404532

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 30 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) 2.49 0.15 -21.43 2 11 0 162 407.342 6
Lo Low (pH 4.5-6) 2.49 0.26 -55.09 3 11 1 163 408.35 6

Activity (Go SEA)

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