UCSF

ZINC19839772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 4.21 7.13 -16.16 1 3 0 41 273.719 1
Mid Mid (pH 6-8) 4.21 8.17 -58.78 0 3 -1 43 272.711 1

Activity (Go SEA)

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