UCSF

ZINC36078412

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) 3.53 7.78 -43.03 2 5 1 54 378.493 5
Hi High (pH 8-9.5) 3.53 5.75 -42.84 0 5 -1 55 376.477 5
Mid Mid (pH 6-8) 3.53 5.7 -8.14 1 5 0 53 377.485 5

Activity (Go SEA)

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