UCSF

ZINC36231497

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 No

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) -1.33 -1.01 -9.8 4 7 0 98 265.317 4
Mid Mid (pH 6-8) -1.33 1.28 -33.09 5 7 1 99 266.325 4
Lo Low (pH 4.5-6) -1.33 1.75 -91.15 6 7 2 101 267.333 4

Activity (Go SEA)

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