UCSF

ZINC36671186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) 1.49 8.35 -108.17 3 4 2 47 258.406 9
Hi High (pH 8-9.5) 1.49 6.24 -44.78 2 4 1 46 257.398 9
Mid Mid (pH 6-8) 1.49 7.01 -34.66 2 4 1 43 257.398 9

Activity (Go SEA)

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