UCSF

ZINC45321533

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 30 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) 4.58 10.7 -15.48 0 6 0 58 432.996 7
Mid Mid (pH 6-8) 4.58 12.09 -55.36 1 6 1 60 434.004 7

Activity (Go SEA)

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