UCSF

ZINC12537419

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 19 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) 2.46 5.52 -12.86 2 4 0 54 255.321 4
Lo Low (pH 4.5-6) 2.46 5.8 -40.31 3 4 1 55 256.329 4

Activity (Go SEA)

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