UCSF

ZINC13424018

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 26 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) 2.86 6.73 -15.76 0 6 0 61 376.478 5
Lo Low (pH 4.5-6) 2.86 7.71 -33.91 1 6 1 62 377.486 5

Activity (Go SEA)

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