UCSF

ZINC36299432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 2.63 3.75 -45.63 3 4 1 63 401.144 7
Hi High (pH 8-9.5) 2.63 3.38 -47.19 2 4 0 65 400.136 7

Activity (Go SEA)

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