UCSF

ZINC34949718

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) 2.97 8.35 -39.36 3 5 1 67 302.398 3
Hi High (pH 8-9.5) 2.97 8.37 -6.42 2 5 0 65 301.39 3

Activity (Go SEA)

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