UCSF

ZINC44413287

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 18 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) 2.45 6.37 -49.82 2 5 -1 93 246.29 5
Lo Low (pH 4.5-6) 2.45 6.2 -41.06 3 5 0 95 247.298 5

Activity (Go SEA)

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