UCSF

ZINC33959999

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 35 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) 5.90 11.51 -65.46 2 8 -1 120 469.473 8
Hi High (pH 8-9.5) 5.90 12.5 -119.19 1 8 -2 123 468.465 8

Activity (Go SEA)

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