UCSF

ZINC34539404

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 0.46 3.87 -97.21 5 5 2 71 309.417 0
Hi High (pH 8-9.5) 0.46 1.19 -13.11 3 5 0 62 307.401 0
Mid Mid (pH 6-8) 0.46 2.53 -40.31 4 5 1 66 308.409 0

Activity (Go SEA)

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