UCSF

ZINC60119993

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 35 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) 3.05 14.73 -57.03 1 8 -1 121 465.489 4
Hi High (pH 8-9.5) 3.50 12.28 -127.03 0 8 -2 124 464.481 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.