UCSF

ZINC69349891

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 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) 0.85 3.43 -114.34 6 5 2 84 307.438 7
Hi High (pH 8-9.5) 0.85 2.19 -41.83 5 5 1 80 306.43 7

Activity (Go SEA)

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