UCSF

ZINC52292796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 2.31 7.21 -45.38 0 3 -1 31 196.299 3
Mid Mid (pH 6-8) 1.58 7.29 -10.05 1 3 0 34 197.307 3

Activity (Go SEA)

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