UCSF

ZINC49604968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 43 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) 6.61 18.61 -146.16 3 6 3 42 569.777 6
Hi High (pH 8-9.5) 6.61 16.43 -69.33 2 6 2 41 568.769 6

Activity (Go SEA)

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