UCSF

ZINC45703477

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 0.98 6.03 -45.98 2 4 1 38 239.387 8
Hi High (pH 8-9.5) 0.98 6.87 -41.32 2 4 1 34 239.387 8
Hi High (pH 8-9.5) 0.98 4.95 -5.34 1 4 0 33 238.379 8
Mid Mid (pH 6-8) 0.98 8.13 -127.97 3 4 2 39 240.395 8
Mid Mid (pH 6-8) 0.98 7.36 -80.47 3 4 2 36 240.395 8
Mid Mid (pH 6-8) 0.98 6.85 -93.88 3 4 2 39 240.395 8
Mid Mid (pH 6-8) 0.98 8.53 -192.19 4 4 3 40 241.403 8

Activity (Go SEA)

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