UCSF

ZINC22938876

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 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) 5.15 9.61 -118.86 6 5 2 75 429.649 16
Hi High (pH 8-9.5) 5.15 8.47 -44.42 5 5 1 70 428.641 16
Mid Mid (pH 6-8) 5.15 8.75 -136.61 6 5 2 75 429.649 16

Activity (Go SEA)

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