UCSF

ZINC21524486

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 25 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) 3.16 11.26 -15.6 0 4 0 38 333.435 4
Mid Mid (pH 6-8) 3.16 11.77 -30.69 1 4 1 39 334.443 4

Activity (Go SEA)

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