UCSF

ZINC27518712

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 37 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) 2.73 8.11 -59.45 2 8 -1 141 521.602 8
Lo Low (pH 4.5-6) 2.73 6.98 -24.23 3 8 0 138 522.61 8

Activity (Go SEA)

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