UCSF

ZINC20436431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 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) 5.25 7.92 -38.63 0 5 -1 63 408.286 5
Ref Reference (pH 7) 5.75 8.53 -8.04 1 5 0 64 409.294 4

Activity (Go SEA)

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