UCSF

ZINC21020391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 4.49 9.84 -110 3 2 2 21 268.489 4
Mid Mid (pH 6-8) 4.49 7.43 -30.35 2 2 1 20 267.481 4

Activity (Go SEA)

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