UCSF

ZINC36025259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2009 21 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) 3.79 10.04 -42.51 2 2 1 34 280.391 2
Mid Mid (pH 6-8) 3.79 9.22 -4.45 1 2 0 29 279.383 2

Activity (Go SEA)

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