UCSF

ZINC34568338

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 2.00 5.21 -8.89 2 5 0 79 241.287 6
Mid Mid (pH 6-8) 2.00 5.45 -52.12 3 5 1 80 242.295 6

Activity (Go SEA)

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