UCSF

ZINC42897408

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 No

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) 4.51 10.13 -8.06 0 3 0 27 321.207 5
Lo Low (pH 4.5-6) 4.51 10.57 -32.73 1 3 1 28 322.215 5

Activity (Go SEA)

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