UCSF

ZINC36677469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 12 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) -1.08 0.83 -104.66 5 3 2 52 174.288 3
Hi High (pH 8-9.5) -1.08 0.49 -34.63 4 3 1 51 173.28 3
Mid Mid (pH 6-8) -1.08 -0.99 -44.27 4 3 1 51 173.28 3

Activity (Go SEA)

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