UCSF

ZINC42781352

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.01 4.36 -9.59 1 5 0 63 238.287 5
Hi High (pH 8-9.5) 1.01 2.93 -29.5 1 5 0 67 238.287 5
Mid Mid (pH 6-8) 1.01 5.37 -52.41 0 5 -1 65 237.279 5
Lo Low (pH 4.5-6) 1.01 2.15 -37.26 2 5 1 64 239.295 5

Activity (Go SEA)

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