UCSF

ZINC32603569

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 20 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) 0.86 4.1 -45.58 2 5 1 54 277.392 2
Mid Mid (pH 6-8) 0.86 4.18 -90.43 3 5 2 55 278.4 2

Activity (Go SEA)

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