UCSF

ZINC45623181

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.33 3.39 -53.05 4 6 1 103 301.12 3
Mid Mid (pH 6-8) 1.33 3.08 -7.66 3 6 0 101 300.112 3

Activity (Go SEA)

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