UCSF

ZINC34823041

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 21 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) 2.37 9.79 -102.03 3 4 2 39 286.423 5
Hi High (pH 8-9.5) 2.37 8.59 -7.26 1 4 0 33 284.407 5
Mid Mid (pH 6-8) 2.37 9.97 -40.19 2 4 1 38 285.415 5

Activity (Go SEA)

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