UCSF

ZINC43262414

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.69 3.48 -122.02 6 4 2 75 362.337 5
Hi High (pH 8-9.5) 2.69 1.61 -8.68 4 4 0 72 360.321 5
Hi High (pH 8-9.5) 2.69 0.99 -53.43 5 4 1 74 361.329 5
Mid Mid (pH 6-8) 2.69 3.17 -37.86 5 4 1 74 361.329 5

Activity (Go SEA)

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