UCSF

ZINC50499176

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 17 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) 1.69 5.01 -42.65 2 3 1 37 253.753 3
Lo Low (pH 4.5-6) 1.69 7.02 -120.66 3 3 2 38 254.761 3

Activity (Go SEA)

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