UCSF

ZINC36788816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.33 6.8 -104.88 4 2 2 32 262.441 5
Hi High (pH 8-9.5) 3.33 5.61 -42.51 3 2 1 31 261.433 5
Mid Mid (pH 6-8) 3.33 6.44 -27.27 3 2 1 30 261.433 5

Activity (Go SEA)

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