UCSF

ZINC41056553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 0.58 2.81 -33.51 4 4 1 60 230.376 8
Mid Mid (pH 6-8) 0.58 1.23 -40.9 4 4 1 60 230.376 8
Mid Mid (pH 6-8) 0.58 3.2 -107.53 5 4 2 61 231.384 8

Activity (Go SEA)

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