UCSF

ZINC19388381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) -0.11 2.81 -45.05 3 4 1 49 263.361 1
Hi High (pH 8-9.5) -0.11 2.54 -4.72 2 4 0 48 262.353 1
Lo Low (pH 4.5-6) -0.11 4.7 -131.57 4 4 2 51 264.369 1

Activity (Go SEA)

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