UCSF

ZINC37240444

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) 1.90 4.42 -31.87 2 2 1 16 171.308 4
Hi High (pH 8-9.5) 1.90 2.04 -0.77 1 2 0 15 170.3 4
Lo Low (pH 4.5-6) 1.90 3.29 -36.4 2 2 1 20 171.308 4
Lo Low (pH 4.5-6) 1.90 5.66 -105.24 3 2 2 21 172.316 4

Activity (Go SEA)

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