UCSF

ZINC61299824

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 14 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) 0.46 2.78 -40.08 3 3 1 42 214.358 7
Lo Low (pH 4.5-6) 0.46 4.14 -109.93 4 3 2 46 215.366 7

Activity (Go SEA)

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