UCSF

ZINC36786833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 3.89 9.26 -124.49 4 2 2 32 278.484 6
Hi High (pH 8-9.5) 3.89 9.07 -27.84 3 2 1 30 277.476 6
Mid Mid (pH 6-8) 3.89 7.61 -44.4 3 2 1 31 277.476 6

Activity (Go SEA)

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