UCSF

ZINC36791344

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) 1.72 4.96 -43.85 3 4 1 49 225.36 5
Hi High (pH 8-9.5) 1.72 4.57 -4.5 2 4 0 47 224.352 5
Lo Low (pH 4.5-6) 1.72 5.09 -97.09 4 4 2 50 226.368 5

Activity (Go SEA)

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