UCSF

ZINC35500590

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 2.58 1.7 -71.16 2 5 0 79 258.277 3
Hi High (pH 8-9.5) 2.12 3.02 -9.5 2 5 0 71 258.277 3
Hi High (pH 8-9.5) 2.58 0.41 -46.93 1 5 -1 74 257.269 3
Mid Mid (pH 6-8) 2.12 4.32 -51.47 3 5 1 76 259.285 3

Activity (Go SEA)

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