UCSF

ZINC48970148

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 1.55 4.58 -109.13 4 3 2 35 267.461 3
Hi High (pH 8-9.5) 1.55 4.25 -32.26 3 3 1 34 266.453 3
Hi High (pH 8-9.5) 1.55 2.14 -42.39 3 3 1 34 266.453 3
Mid Mid (pH 6-8) 1.55 4.48 -120.1 4 3 2 35 267.461 3
Lo Low (pH 4.5-6) 1.55 7.23 -215.34 5 3 3 37 268.469 3

Activity (Go SEA)

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