UCSF

ZINC33769393

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 21 No

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) 2.70 2.26 -33.8 2 8 -1 135 308.657 3
Hi High (pH 8-9.5) 2.70 3.03 -86.42 1 8 -2 138 307.649 3
Mid Mid (pH 6-8) 2.70 0.73 -56.7 2 8 -1 135 308.657 3
Mid Mid (pH 6-8) 2.24 3.32 -16.39 3 8 0 132 309.665 3

Activity (Go SEA)

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