UCSF

ZINC37085269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.19 3.1 -38.16 2 4 1 46 215.317 4
Hi High (pH 8-9.5) 1.19 4.51 -36.66 2 4 1 43 215.317 4
Lo Low (pH 4.5-6) 1.19 5.5 -100.62 3 4 2 47 216.325 4

Activity (Go SEA)

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