UCSF

ZINC11617213

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 29 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) 6.50 12.17 -26.86 1 5 1 66 422.555 4
Mid Mid (pH 6-8) 6.50 11.61 -17.04 0 5 0 64 421.547 4
Mid Mid (pH 6-8) 6.50 11.69 -19.53 0 5 0 64 421.547 4

Activity (Go SEA)

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