UCSF

ZINC49900908

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 21 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) 0.81 6.76 -14.56 1 9 0 121 292.251 5
Hi High (pH 8-9.5) 1.27 4.71 -40.31 0 9 -1 124 291.243 5

Activity (Go SEA)

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