UCSF

ZINC26898126

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 22 No

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) 1.03 6.18 -42.06 2 7 1 80 312.39 6
Mid Mid (pH 6-8) 1.03 3.92 -12.34 1 7 0 79 311.382 6

Activity (Go SEA)

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