UCSF

ZINC02721326

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) 5.07 0.27 -9.38 1 4 0 46 349.478 5
Mid Mid (pH 6-8) 1.66 0.43 -30.91 2 4 1 48 350.486 5

Activity (Go SEA)

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