UCSF

ZINC20149995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 36 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) 3.64 12.09 -80.79 1 8 0 96 492.572 11
Lo Low (pH 4.5-6) 3.64 11.13 -55.36 2 8 1 94 493.58 11

Activity (Go SEA)

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