UCSF

ZINC03227458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 27 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) 3.42 8.08 -29.43 1 9 0 119 386.389 6
Mid Mid (pH 6-8) 3.48 5.92 -70.57 0 9 -1 125 385.381 6

Activity (Go SEA)

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