UCSF

ZINC06621611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 30 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) 2.33 1.67 -16.17 1 8 0 102 409.394 7
Mid Mid (pH 6-8) 1.75 1.7 -22.47 0 8 0 99 409.394 7

Activity (Go SEA)

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