UCSF

ZINC20280613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 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) 4.28 13.55 -79.53 1 7 0 83 494.632 13
Lo Low (pH 4.5-6) 4.28 12.72 -56.19 2 7 1 81 495.64 13

Activity (Go SEA)

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