UCSF

ZINC43413388

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.59 3.7 -50.87 2 6 -1 102 291.327 5
Hi High (pH 8-9.5) 1.59 6.15 -83.23 2 6 -1 106 291.327 5
Hi High (pH 8-9.5) 1.59 4.67 -49.36 2 6 -1 102 291.327 5
Mid Mid (pH 6-8) 1.59 5.68 -102.7 1 6 -2 105 290.319 5
Lo Low (pH 4.5-6) 1.59 2.7 -11.4 3 6 0 100 292.335 5

Activity (Go SEA)

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