UCSF

ZINC21883902

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 21 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) 0.32 3.36 -56.28 2 8 1 97 317.391 6
Mid Mid (pH 6-8) 0.32 1.08 -21.04 1 8 0 96 316.383 6

Activity (Go SEA)

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