UCSF

ZINC16154249

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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 2.35 -15.74 1 8 0 102 491.385 6
Hi High (pH 8-9.5) 2.63 2.42 -45.58 0 8 -1 104 490.377 6

Activity (Go SEA)

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