UCSF

ZINC70515529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 3.74 6.07 -40.49 4 3 1 51 279.448 10
Hi High (pH 8-9.5) 3.74 5.74 -4.86 3 3 0 49 278.44 10
Lo Low (pH 4.5-6) 3.74 6.11 -99.02 5 3 0 52 280.456 10

Activity (Go SEA)

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