UCSF

ZINC09414896

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 32 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) 3.42 1.71 -14.12 1 8 0 86 446.898 6
Lo Low (pH 4.5-6) 3.42 1.81 -53.7 2 8 1 88 447.906 6

Activity (Go SEA)

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