UCSF

ZINC52710332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 22 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) 1.30 4.11 -43.65 2 7 1 71 322.414 3
Hi High (pH 8-9.5) 1.30 4.3 -16.54 1 7 0 70 321.406 3
Mid Mid (pH 6-8) 1.30 6.4 -122.86 3 7 2 72 323.422 3
Lo Low (pH 4.5-6) 1.30 6.56 -54.29 2 7 1 71 322.414 3

Activity (Go SEA)

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