UCSF

ZINC13284505

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 29 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) 4.99 8.04 -13.48 3 5 0 77 407.47 4
Lo Low (pH 4.5-6) 4.99 8.25 -36.76 4 5 1 78 408.478 4

Activity (Go SEA)

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