UCSF

ZINC20755306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 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) 3.40 7.74 -49.6 2 6 1 63 440.589 4
Mid Mid (pH 6-8) 3.40 5.35 -12.33 1 6 0 62 439.581 4

Activity (Go SEA)

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