UCSF

ZINC28285419

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 19 No

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) 1.47 5.75 -47.99 2 4 1 54 265.308 3
Mid Mid (pH 6-8) 1.47 4.79 -11.04 1 4 0 49 264.3 3
Mid Mid (pH 6-8) 1.47 4.86 -7.7 1 4 0 49 264.3 3

Activity (Go SEA)

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