UCSF

ZINC21994568

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 3.41 7.71 -6.13 0 1 0 13 183.254 1
Lo Low (pH 4.5-6) 3.41 8.04 -29.75 1 1 1 14 184.262 1

Activity (Go SEA)

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