UCSF

ZINC50719824

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2010 28 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) 1.44 7.17 -12.5 1 7 0 75 388.512 5
Lo Low (pH 4.5-6) 1.44 7.51 -42.14 2 7 1 76 389.52 5

Activity (Go SEA)

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