UCSF

ZINC34942473

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.77 12.5 -70.24 1 7 0 83 492.616 14
Lo Low (pH 4.5-6) 4.77 11.75 -49.31 2 7 1 81 493.624 14

Activity (Go SEA)

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