UCSF

ZINC21538256

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 35 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) 6.18 18.89 -8.93 0 4 0 36 459.593 8
Mid Mid (pH 6-8) 3.70 20.63 -17.58 1 4 0 46 459.593 8

Activity (Go SEA)

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