UCSF

ZINC53699738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 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) 3.43 9.52 -87.03 3 3 2 34 283.419 4
Mid Mid (pH 6-8) 3.43 9.07 -36.27 2 3 1 33 282.411 4

Activity (Go SEA)

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