UCSF

ZINC43802980

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 17 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) 0.80 2.78 -41.73 2 4 1 38 243.371 7
Hi High (pH 8-9.5) 0.80 1.41 -3.17 1 4 0 34 242.363 7
Mid Mid (pH 6-8) 0.80 4.93 -97.1 3 4 2 40 244.379 7

Activity (Go SEA)

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