UCSF

ZINC42691132

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.23 4.76 -83.46 3 4 2 43 267.417 7
Hi High (pH 8-9.5) 2.23 3.09 -4.6 1 4 0 37 265.401 7
Hi High (pH 8-9.5) 2.23 5.45 -34.95 2 4 1 39 266.409 7
Mid Mid (pH 6-8) 2.23 4.28 -39.38 2 4 1 42 266.409 7

Activity (Go SEA)

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