UCSF

ZINC21812973

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.09 4.3 -67.57 4 5 1 79 306.411 3
Mid Mid (pH 6-8) 3.09 3.93 -12.98 3 5 0 77 305.403 3

Activity (Go SEA)

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