UCSF

ZINC36137637

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 1.03 7.89 -54.73 2 5 0 74 280.368 6
Lo Low (pH 4.5-6) 1.03 5.74 -38.21 3 5 1 71 281.376 6

Activity (Go SEA)

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