UCSF

ZINC31721472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 24 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) 2.64 3.12 -16.67 2 6 0 92 366.464 7
Mid Mid (pH 6-8) 2.64 3.19 -45.6 1 6 -1 94 365.456 7

Activity (Go SEA)

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