UCSF

ZINC37094647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.69 8.31 -122.91 4 2 2 32 264.457 7
Mid Mid (pH 6-8) 3.69 6.08 -42.61 3 2 1 31 263.449 7
Mid Mid (pH 6-8) 3.69 8.84 -27.99 3 2 1 30 263.449 7

Activity (Go SEA)

Rings

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