UCSF

ZINC36272410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 4.14 10.96 -35.09 3 4 1 48 335.475 3
Hi High (pH 8-9.5) 4.14 8.86 -9.89 2 4 0 47 334.467 3
Mid Mid (pH 6-8) 4.14 11.64 -83.94 4 4 2 49 336.483 3
Mid Mid (pH 6-8) 4.14 9.47 -24.1 3 4 1 48 335.475 3

Activity (Go SEA)

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