UCSF

ZINC36787813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 1.40 4.63 -44.02 3 4 1 49 225.36 4
Hi High (pH 8-9.5) 1.40 4.37 -5.11 2 4 0 47 224.352 4
Hi High (pH 8-9.5) 1.40 4.38 -23.09 3 4 1 48 225.36 4
Mid Mid (pH 6-8) 1.40 4.76 -97.24 4 4 2 50 226.368 4

Activity (Go SEA)

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