UCSF

ZINC49454845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 19 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) 2.35 8.35 -63.47 0 5 -1 69 256.285 2
Mid Mid (pH 6-8) 2.35 8.76 -32.66 1 5 0 70 257.293 2

Activity (Go SEA)

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