UCSF

ZINC36996827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 2.86 8.71 -37.49 2 3 1 40 270.4 3
Mid Mid (pH 6-8) 2.86 7.36 -49.5 2 3 1 44 270.4 3
Lo Low (pH 4.5-6) 2.86 9.63 -123.34 3 3 2 45 271.408 3

Activity (Go SEA)

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