UCSF

ZINC57488495

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 14 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) -1.10 4.22 -47.87 1 3 -1 60 191.206 2
Lo Low (pH 4.5-6) -1.10 2.22 -7.36 2 3 0 58 192.214 2

Activity (Go SEA)

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