UCSF

ZINC13675903

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 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) 5.04 9.49 -13.86 2 5 0 75 422.55 8
Hi High (pH 8-9.5) 5.04 9.56 -42.93 1 5 -1 77 421.542 8

Activity (Go SEA)

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