UCSF

ZINC21796957

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 2.55 5.59 -36.13 2 4 1 52 251.693 4
Mid Mid (pH 6-8) 2.55 5.19 -8.91 1 4 0 51 250.685 4

Activity (Go SEA)

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