UCSF

ZINC37240811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.19 4.76 -31.78 2 2 1 16 171.308 5
Hi High (pH 8-9.5) 2.19 2.29 -1.18 1 2 0 15 170.3 5
Lo Low (pH 4.5-6) 2.19 3.59 -35.74 2 2 1 20 171.308 5
Lo Low (pH 4.5-6) 2.19 6.06 -105.34 3 2 2 21 172.316 5

Activity (Go SEA)

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