UCSF

ZINC27757034

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 26 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) 3.33 5.93 -51.29 1 6 -1 90 406.896 5
Mid Mid (pH 6-8) 3.33 5.55 -15.94 2 6 0 88 407.904 5

Activity (Go SEA)

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