UCSF

ZINC36316780

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 5.78 8.54 -5.49 1 3 0 32 384.134 4
Hi High (pH 8-9.5) 5.60 9.2 -23.57 1 3 0 40 384.134 4

Activity (Go SEA)

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