UCSF

ZINC33808594

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 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) 4.57 14.1 -54.43 0 7 -1 92 513.614 12
Lo Low (pH 4.5-6) 4.57 12.81 -20.63 1 7 0 89 514.622 12

Activity (Go SEA)

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