UCSF

ZINC13540737

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 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) 4.35 9.39 -42.88 3 6 1 69 447.603 5
Hi High (pH 8-9.5) 4.35 8.18 -8.69 2 6 0 65 446.595 5

Activity (Go SEA)

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