UCSF

ZINC70513834

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) 3.02 6.11 -33.08 4 3 1 51 279.448 8
Hi High (pH 8-9.5) 3.02 5.3 -39.69 4 3 1 51 279.448 8
Hi High (pH 8-9.5) 3.02 4.46 -2.55 3 3 0 49 278.44 8
Lo Low (pH 4.5-6) 3.02 5.16 -120.7 5 3 2 52 280.456 8

Activity (Go SEA)

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