UCSF

ZINC37849681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.24 1.12 -42.36 3 5 1 59 275.413 11
Mid Mid (pH 6-8) 0.24 1.81 -36.75 3 5 1 55 275.413 11

Activity (Go SEA)

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