UCSF

ZINC09422075

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 4.11 1.14 -17.09 1 6 0 81 406.825 5
Lo Low (pH 4.5-6) 4.11 1.24 -48.02 2 6 1 82 407.833 5

Activity (Go SEA)

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