UCSF

ZINC36765320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 11 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) 0.66 4.5 -100.78 4 2 2 32 158.289 6
Hi High (pH 8-9.5) 0.66 4.12 -30.83 3 2 1 30 157.281 6
Mid Mid (pH 6-8) 0.66 2.39 -41.16 3 2 1 31 157.281 6

Activity (Go SEA)

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