UCSF

ZINC09409096

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 30 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) 4.42 8.27 -14.4 2 6 0 78 425.916 7
Mid Mid (pH 6-8) 4.42 9.04 -53.03 1 6 -1 81 424.908 7

Activity (Go SEA)

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