UCSF

ZINC35728213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) -1.78 -3.19 -37.88 4 5 1 69 200.262 1
Hi High (pH 8-9.5) -1.78 -4.47 -8.99 3 5 0 65 199.254 1
Mid Mid (pH 6-8) -1.78 -1.89 -95.79 5 5 2 74 201.27 1

Activity (Go SEA)

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