UCSF

ZINC34937527

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) -0.50 -0.44 -36.83 3 5 1 64 205.278 8
Hi High (pH 8-9.5) -0.50 -1.75 -8.92 2 5 0 60 204.27 8

Activity (Go SEA)

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