UCSF

ZINC06621593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 29 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) 2.27 -1.15 -17.59 2 7 0 100 411.435 6
Mid Mid (pH 6-8) 1.69 -1.16 -25.32 1 7 0 97 411.435 6

Activity (Go SEA)

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