UCSF

ZINC34885301

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 29 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) 3.60 9.73 -37.24 5 5 1 82 386.523 7
Mid Mid (pH 6-8) 3.60 6.83 -10.7 4 5 0 81 385.515 7

Activity (Go SEA)

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