UCSF

ZINC06493596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 25 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) 2.31 8.18 -54.22 0 7 -1 106 337.311 4
Mid Mid (pH 6-8) 2.76 1.33 -17.62 1 7 0 103 338.319 3
Mid Mid (pH 6-8) 1.73 0.7 -15.23 0 7 0 100 338.319 4

Activity (Go SEA)

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