UCSF

ZINC04988774

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 31 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) 4.43 13.19 -54.32 1 5 1 41 422.545 11
Hi High (pH 8-9.5) 4.43 10.86 -11.88 0 5 0 40 421.537 11

Activity (Go SEA)

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