UCSF

ZINC51397108

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 17 No

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) -0.08 1.03 -54.62 3 5 1 78 256.351 3
Hi High (pH 8-9.5) -0.08 0.62 -12.99 2 5 0 76 255.343 3
Mid Mid (pH 6-8) -0.08 0.88 -40.57 3 5 1 78 256.351 3
Lo Low (pH 4.5-6) -0.08 1.28 -126.72 4 5 2 79 257.359 3

Activity (Go SEA)

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