UCSF

ZINC36996551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 1.25 5.71 -35.23 2 3 1 29 232.351 3
Mid Mid (pH 6-8) 1.25 4.6 -45.98 2 3 1 33 232.351 3
Lo Low (pH 4.5-6) 1.25 6.86 -117.29 3 3 2 34 233.359 3

Activity (Go SEA)

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