UCSF

ZINC03087823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 29 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) 4.88 12.48 -108.34 0 4 -2 80 435.347 3
Mid Mid (pH 6-8) 4.88 11.33 -38.36 1 4 -1 77 436.355 3
Mid Mid (pH 6-8) 4.29 13.14 -36.52 0 4 -1 74 436.355 3

Activity (Go SEA)

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