UCSF

ZINC19996573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 23 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) 2.05 4.41 -6.43 0 6 0 51 328.453 10
Mid Mid (pH 6-8) 2.05 6.35 -42.21 1 6 1 52 329.461 10

Activity (Go SEA)

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