UCSF

ZINC37824553

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 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) -2.77 -4.91 -51.09 6 6 1 111 188.207 2
Mid Mid (pH 6-8) -2.77 -5.31 -19.18 5 6 0 110 187.199 2

Activity (Go SEA)

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