UCSF

ZINC34938164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 0.13 0.24 -45.37 4 4 1 63 216.349 8
Hi High (pH 8-9.5) 0.12 -1.3 -7.51 3 4 0 58 215.341 8
Mid Mid (pH 6-8) 0.13 2.29 -113.97 5 4 2 64 217.357 8
Mid Mid (pH 6-8) 0.13 0.94 -34.57 4 4 1 60 216.349 8

Activity (Go SEA)

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