UCSF

ZINC02374078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 31 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) 6.06 8.5 -52.49 1 7 -1 95 474.349 6
Mid Mid (pH 6-8) 0.83 4.01 -10.7 0 5 0 46 335.473 3
Mid Mid (pH 6-8) 0.83 6.21 -44.89 1 5 1 47 336.481 3

Activity (Go SEA)

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