UCSF

ZINC16577526

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 18 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) 2.48 8.26 -11.82 0 3 0 35 264.394 2
Mid Mid (pH 6-8) 2.48 8.65 -24.56 1 3 1 36 265.402 2

Activity (Go SEA)

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