UCSF

ZINC01481268

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 33 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) 3.70 10.48 -53.46 0 7 -1 100 469.445 6
Mid Mid (pH 6-8) 3.12 1.71 -16.52 0 7 0 93 470.453 6

Activity (Go SEA)

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