UCSF

ZINC61993769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 15 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) 0.78 4.35 -34.23 2 3 1 29 226.369 6
Hi High (pH 8-9.5) 0.78 1.9 -5.24 1 3 0 28 225.361 6
Mid Mid (pH 6-8) 0.78 3.27 -38.23 2 3 1 33 226.369 6
Lo Low (pH 4.5-6) 0.78 5.7 -108.65 3 3 2 34 227.377 6

Activity (Go SEA)

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