UCSF

ZINC00292053

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 21 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) 2.67 9.19 -53.36 1 6 1 67 288.327 4
Mid Mid (pH 6-8) 2.67 6.95 -9.78 0 6 0 65 287.319 4

Activity (Go SEA)

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