UCSF

ZINC31978995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.19 0.58 -66.93 2 5 -1 89 214.241 4
Lo Low (pH 4.5-6) 0.19 -0.54 -17.35 3 5 0 87 215.249 4

Activity (Go SEA)

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