UCSF

ZINC21010659

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 4.63 8.58 -56 0 3 -1 53 333.205 2
Mid Mid (pH 6-8) 4.63 8.93 -60.85 1 3 0 54 334.213 2

Activity (Go SEA)

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