UCSF

ZINC31866370

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 31 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) 2.30 7.64 -21.1 1 8 0 80 439.541 6
Mid Mid (pH 6-8) 2.30 9.85 -66.72 2 8 1 81 440.549 6

Activity (Go SEA)

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