UCSF

ZINC16896947

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.13 11.34 -24.99 2 7 0 101 493.61 9
Hi High (pH 8-9.5) 6.59 10.1 -58.22 1 7 -1 104 492.602 9

Activity (Go SEA)

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