UCSF

ZINC31544336

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 34 Yes

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) 3.41 11.7 -58.14 2 7 1 72 480.658 7
Mid Mid (pH 6-8) 3.41 9.33 -19.41 1 7 0 70 479.65 7

Activity (Go SEA)

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