UCSF

ZINC34962101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.53 6.24 -42.77 2 3 1 34 202.281 3
Hi High (pH 8-9.5) 1.53 4.81 -7.5 1 3 0 30 201.273 3

Activity (Go SEA)

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