UCSF

ZINC70613196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 14 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) 2.56 7.18 -109.18 3 2 2 21 200.37 4
Mid Mid (pH 6-8) 2.56 6.07 -28.72 2 2 1 16 199.362 4
Mid Mid (pH 6-8) 2.56 5.53 -32.61 2 2 1 20 199.362 4

Activity (Go SEA)

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