UCSF

ZINC36139290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 0.35 15.45 -100.07 3 5 2 56 431.378 8
Hi High (pH 8-9.5) 0.35 13.29 -34.91 2 5 1 55 430.37 8

Activity (Go SEA)

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