UCSF

ZINC37812774

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.63 5.36 -88.67 4 4 2 52 267.417 1
Mid Mid (pH 6-8) 0.63 3.09 -42.42 3 4 1 51 266.409 1

Activity (Go SEA)

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