UCSF

ZINC36731988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 13 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) 0.12 2.41 -88.9 4 3 2 35 189.347 7
Hi High (pH 8-9.5) 0.12 -0.05 -42.07 3 3 1 34 188.339 7
Mid Mid (pH 6-8) 0.12 1.91 -101.51 4 3 2 35 189.347 7
Lo Low (pH 4.5-6) 0.12 4.37 -184.26 5 3 3 37 190.355 7

Activity (Go SEA)

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