UCSF

ZINC12551550

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 27 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) 4.71 9.64 -36.16 3 5 1 49 367.517 6
Lo Low (pH 4.5-6) 4.71 10.38 -71.45 4 5 0 50 368.525 6

Activity (Go SEA)

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