UCSF

ZINC00368769

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 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) 2.46 6.48 -14.75 1 5 0 75 234.255 3
Mid Mid (pH 6-8) 2.53 3.91 -7.08 1 5 0 78 234.255 3

Activity (Go SEA)

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