UCSF

ZINC28863101

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 43 No

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) 0.24 5.72 -53.8 6 13 1 179 596.709 16
Mid Mid (pH 6-8) 0.24 4.42 -30.96 5 13 0 174 595.701 16

Activity (Go SEA)

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