UCSF

ZINC34691564

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 27 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) 1.31 3.74 -15.78 1 6 0 62 380.46 9
Lo Low (pH 4.5-6) 1.31 5.52 -49.93 2 6 1 63 381.468 9

Activity (Go SEA)

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