UCSF

ZINC22935292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.81 10.28 -83.26 3 3 2 21 309.523 6
Mid Mid (pH 6-8) 2.81 7.9 -35.18 2 3 1 20 308.515 6

Activity (Go SEA)

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