UCSF

ZINC21506308

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 4.41 10.15 -116.32 3 2 2 21 266.473 4
Mid Mid (pH 6-8) 4.41 8.24 -35.31 2 2 1 20 265.465 4

Activity (Go SEA)

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