UCSF

ZINC19279693

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 0.41 2.93 -13.6 1 5 0 51 264.325 4
Mid Mid (pH 6-8) 0.41 4.3 -58.69 2 5 1 55 265.333 4

Activity (Go SEA)

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