UCSF

ZINC13534954

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 6.61 13.49 -11.03 0 4 0 36 400.522 7
Lo Low (pH 4.5-6) 6.61 14.2 -31.46 1 4 1 38 401.53 7

Activity (Go SEA)

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