UCSF

ZINC62953169

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 3.62 7.19 -2.44 2 2 0 29 252.789 2
Mid Mid (pH 6-8) 3.62 7.41 -26.4 3 2 1 30 253.797 2

Activity (Go SEA)

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