UCSF

ZINC05906618

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 3.65 6.42 -12.77 1 5 0 69 312.321 4
Hi High (pH 8-9.5) 3.65 7.19 -43.85 0 5 -1 72 311.313 4

Activity (Go SEA)

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