UCSF

ZINC17412098

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2008 11 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) 2.64 6.24 -42.06 0 2 -1 40 157.233 4
Lo Low (pH 4.5-6) 2.64 4.27 -4.02 1 2 0 37 158.241 4

Activity (Go SEA)

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