UCSF

ZINC03874841

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 23 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) 3.25 4.23 -46.34 4 4 1 65 312.389 2
Mid Mid (pH 6-8) 3.25 2.03 -9.59 3 4 0 64 311.381 2

Activity (Go SEA)

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