UCSF

ZINC58142906

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 30 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) 2.10 8.11 -15.82 2 7 0 89 402.454 5
Lo Low (pH 4.5-6) 2.10 8.58 -46.91 3 7 1 90 403.462 5

Activity (Go SEA)

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