UCSF

ZINC22756664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 37 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) 4.48 14.27 -16.71 1 7 0 74 496.611 8
Mid Mid (pH 6-8) 4.48 16.66 -45.32 2 7 1 75 497.619 8
Mid Mid (pH 6-8) 4.48 14.62 -47.23 0 7 -1 76 495.603 8

Activity (Go SEA)

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