UCSF

ZINC02721348

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 26 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) 3.45 0.2 -12.21 1 5 0 56 351.45 6
Mid Mid (pH 6-8) 0.04 0.43 -36.39 2 5 1 58 352.458 6

Activity (Go SEA)

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