UCSF

ZINC18180509

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 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) 5.64 7.16 -8.51 2 5 0 75 409.294 4
Hi High (pH 8-9.5) 6.10 5.4 -38.9 1 5 -1 78 408.286 4

Activity (Go SEA)

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