UCSF

ZINC04078713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 26 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) 2.47 8.63 -18.55 1 6 0 79 365.414 4
Hi High (pH 8-9.5) 2.29 7.07 -54.06 0 6 -1 86 364.406 4

Activity (Go SEA)

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