UCSF

ZINC24989660

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 25 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) 2.37 3.31 -56.6 2 7 -1 115 363.346 4
Mid Mid (pH 6-8) 2.37 3.38 -108.7 1 7 -2 117 362.338 4

Activity (Go SEA)

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