UCSF

ZINC45692363

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 0.99 5.72 -38.32 2 4 1 37 256.414 6
Hi High (pH 8-9.5) 0.99 4.2 -6.91 1 4 0 36 255.406 6
Mid Mid (pH 6-8) 0.99 6.87 -123.62 3 4 2 41 257.422 6
Mid Mid (pH 6-8) 0.99 4.95 -42.26 2 4 1 40 256.414 6

Activity (Go SEA)

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