UCSF

ZINC08820754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 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) 7.17 11.93 -10.34 1 5 0 64 444.556 7
Mid Mid (pH 6-8) 6.68 11.76 -43.83 0 5 -1 63 443.548 8

Activity (Go SEA)

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