UCSF

ZINC05595308

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 23 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) 4.53 6.82 -9.47 1 5 0 64 324.361 2
Ref Reference (pH 7) 4.04 6.27 -46.2 0 5 -1 63 323.353 3

Activity (Go SEA)

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