UCSF

ZINC22002026

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 12 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) 0.44 -0.14 -4.47 1 3 0 33 171.24 1
Mid Mid (pH 6-8) 0.44 1.97 -30.53 2 3 1 34 172.248 1

Activity (Go SEA)

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