UCSF

ZINC44479296

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 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) 2.44 3.19 -11.36 1 5 0 59 279.336 2
Hi High (pH 8-9.5) 2.44 4.39 -53.24 0 5 -1 62 278.328 2

Activity (Go SEA)

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