UCSF

ZINC20199916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 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) 1.61 4.83 -8.11 1 2 0 36 194.665 4
Mid Mid (pH 6-8) 1.61 6.24 -59.13 2 2 1 40 195.673 4

Activity (Go SEA)

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