UCSF

ZINC36805329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 14 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) 1.06 2.14 -5.96 0 3 0 25 232.736 3
Lo Low (pH 4.5-6) 1.06 4.43 -36.93 1 3 1 27 233.744 3

Activity (Go SEA)

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