UCSF

ZINC07387664

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 22 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) 2.96 4.27 -49.39 0 5 -1 67 342.755 3
Mid Mid (pH 6-8) 2.96 4.11 -11.59 1 5 0 65 343.763 3

Activity (Go SEA)

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