UCSF

ZINC43241411

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.11 2.77 -25.56 4 3 1 51 255.407 4
Hi High (pH 8-9.5) 1.11 0.84 -3.43 3 3 0 49 254.399 4
Mid Mid (pH 6-8) 1.11 1.25 -43.3 4 3 1 51 255.407 4
Lo Low (pH 4.5-6) 1.11 3.12 -116.03 5 3 2 52 256.415 4

Activity (Go SEA)

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