UCSF

ZINC18101885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 27 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) 5.64 12.43 -15.98 1 3 0 42 374.44 4
Hi High (pH 8-9.5) 5.71 11.53 -46.09 0 3 -1 48 373.432 4

Activity (Go SEA)

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