UCSF

ZINC36078323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.74 8.02 -45.27 2 5 1 54 378.493 6
Hi High (pH 8-9.5) 3.74 5.93 -42.66 0 5 -1 55 376.477 6
Mid Mid (pH 6-8) 3.74 5.88 -8.1 1 5 0 53 377.485 6

Activity (Go SEA)

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