UCSF

ZINC23873216

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 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) 3.76 9.26 -17.78 1 6 0 69 456.637 3
Mid Mid (pH 6-8) 3.76 11.26 -63.18 2 6 1 70 457.645 3

Activity (Go SEA)

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