UCSF

ZINC37084325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 1.22 4.87 -105.88 4 2 2 32 172.316 4
Hi High (pH 8-9.5) 1.22 4.54 -32.62 3 2 1 30 171.308 4
Hi High (pH 8-9.5) 1.22 2.6 -39.48 3 2 1 31 171.308 4

Activity (Go SEA)

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