UCSF

ZINC70514610

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.98 4.53 -90.8 4 4 2 51 286.46 11
Hi High (pH 8-9.5) 1.98 1.43 -2.54 2 4 0 45 284.444 11
Mid Mid (pH 6-8) 1.98 4.61 -25.26 3 4 1 46 285.452 11
Mid Mid (pH 6-8) 1.98 3.01 -26.46 3 4 1 49 285.452 11

Activity (Go SEA)

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