UCSF

ZINC21715289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 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) 4.17 10.34 -43.58 1 4 0 58 318.376 3
Mid Mid (pH 6-8) 4.17 10.12 -51.74 0 4 -1 56 317.368 3

Activity (Go SEA)

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