UCSF

ZINC20494978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 28 No

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) 4.27 10.7 -10.31 1 4 0 28 442.387 8
Mid Mid (pH 6-8) 4.27 13.04 -39.21 2 4 1 29 443.395 8

Activity (Go SEA)

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