UCSF

ZINC16386294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 38 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) 6.95 16.61 -109.2 2 8 -2 138 530.706 24
Lo Low (pH 4.5-6) 6.95 14.63 -67.18 3 8 -1 136 531.714 24

Activity (Go SEA)

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