UCSF

ZINC16095978

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 31 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) 3.25 5.21 -18.21 2 8 0 103 442.493 8
Hi High (pH 8-9.5) 3.25 5.25 -55.9 1 8 -1 105 441.485 8

Activity (Go SEA)

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