UCSF

ZINC34988428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 5.89 9.84 -18.52 2 8 0 106 499.317 8
Hi High (pH 8-9.5) 5.89 10.85 -59.45 1 8 -1 109 498.309 8

Activity (Go SEA)

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