UCSF

ZINC21528023

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 22 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) 2.67 7.03 -47.69 2 6 1 63 303.386 3
Mid Mid (pH 6-8) 2.67 4.77 -10.66 1 6 0 62 302.378 3

Activity (Go SEA)

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