UCSF

ZINC28089252

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 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) 3.92 10.76 -49.23 2 4 1 37 378.54 5
Mid Mid (pH 6-8) 3.92 9.97 -43.27 2 4 1 37 378.54 5
Mid Mid (pH 6-8) 3.92 8.44 -10.63 1 4 0 36 377.532 5

Activity (Go SEA)

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