UCSF

ZINC39224310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 13 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) 2.16 4.51 -31.28 2 2 1 20 183.319 4
Hi High (pH 8-9.5) 2.16 2.92 -0.97 1 2 0 15 182.311 4
Mid Mid (pH 6-8) 2.16 5.37 -27.88 2 2 1 16 183.319 4
Lo Low (pH 4.5-6) 2.16 6.48 -104.17 3 2 2 21 184.327 4

Activity (Go SEA)

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