UCSF

ZINC38604506

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 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) 4.51 10.88 -123.53 4 2 2 33 312.501 6
Mid Mid (pH 6-8) 4.51 9.74 -39.43 3 2 1 29 311.493 6

Activity (Go SEA)

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