UCSF

ZINC02601767

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 22 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) 4.27 9.39 -14.77 1 4 0 47 301.434 9
Mid Mid (pH 6-8) 4.27 9.68 -35.16 2 4 1 48 302.442 9

Activity (Go SEA)

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