UCSF

ZINC33084522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 28 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) 3.75 8.26 -38.6 2 6 1 65 378.452 5
Mid Mid (pH 6-8) 3.75 8.01 -20.95 1 6 0 64 377.444 5

Activity (Go SEA)

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