UCSF

ZINC36322303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 23 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) 3.43 6.06 -10.59 1 4 0 47 322.286 4
Lo Low (pH 4.5-6) 3.43 6.36 -30.36 2 4 1 48 323.294 4

Activity (Go SEA)

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