UCSF

ZINC45701360

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 0.75 7.23 -95.83 3 4 2 41 257.422 8
Hi High (pH 8-9.5) 0.75 5.87 -37.76 2 4 1 37 256.414 8

Activity (Go SEA)

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