UCSF

ZINC02721371

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 27 Yes

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) 5.25 0.51 -11.93 1 5 0 56 365.477 8
Mid Mid (pH 6-8) 1.85 0.73 -33.66 2 5 1 58 366.485 8

Activity (Go SEA)

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