UCSF

ZINC21880358

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 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) 3.21 7.47 -51.16 3 8 1 82 483.662 6
Hi High (pH 8-9.5) 3.21 5.16 -19.69 2 8 0 81 482.654 6
Mid Mid (pH 6-8) 3.21 7.48 -55.03 3 8 1 82 483.662 6

Activity (Go SEA)

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