UCSF

ZINC16701382

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 33 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) 4.88 7.91 -18.83 1 7 0 101 492.663 6
Hi High (pH 8-9.5) 4.88 8 -53.14 0 7 -1 103 491.655 6

Activity (Go SEA)

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