UCSF

ZINC37016690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.66 0.35 -52.24 1 7 -1 99 333.411 6
Mid Mid (pH 6-8) 0.66 2.66 -77.39 2 7 0 100 334.419 6

Activity (Go SEA)

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