UCSF

ZINC36353664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 22 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) 2.36 1.9 -15.06 2 6 0 84 317.732 2
Ref Reference (pH 7) 2.17 4.54 -16.23 2 6 0 80 317.732 2
Hi High (pH 8-9.5) 2.54 0.5 -45.39 1 6 -1 90 316.724 2

Activity (Go SEA)

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