UCSF

ZINC13715128

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 2.15 8.27 -51.64 2 5 1 54 344.46 4
Mid Mid (pH 6-8) 2.15 5.92 -14.88 1 5 0 53 343.452 4

Activity (Go SEA)

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