UCSF

ZINC17029092

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 27 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) 1.48 5.79 -51.16 2 7 -1 103 367.381 5
Mid Mid (pH 6-8) 2.33 4.06 -14.94 3 7 0 105 368.389 5

Activity (Go SEA)

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