UCSF

ZINC36305204

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 15 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 0.61 -45.8 3 4 1 49 215.317 1
Hi High (pH 8-9.5) -0.12 0.22 -2.81 2 4 0 48 214.309 1
Lo Low (pH 4.5-6) -0.12 2.08 -119.09 4 4 2 51 216.325 1

Activity (Go SEA)

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