UCSF

ZINC19843256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) -0.84 4.84 -169.6 5 5 3 57 257.402 3
Hi High (pH 8-9.5) -0.84 0.33 -49.33 3 5 1 54 255.386 3
Mid Mid (pH 6-8) -0.84 2.49 -104.99 4 5 2 56 256.394 3

Activity (Go SEA)

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