UCSF

ZINC34946750

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) 2.63 14.08 -14.19 2 9 0 107 485.544 8
Hi High (pH 8-9.5) 2.70 12.54 -59.88 1 9 -1 114 484.536 8

Activity (Go SEA)

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