UCSF

ZINC34934430

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) 6.55 14.74 -54.49 0 5 -1 70 503.018 10
Lo Low (pH 4.5-6) 6.55 13.98 -11.21 1 5 0 67 504.026 10

Activity (Go SEA)

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