UCSF

ZINC55237523

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 4.23 8.61 -49.67 2 1 1 17 254.344 3
Hi High (pH 8-9.5) 4.23 7.74 -3.43 1 1 0 12 253.336 3

Activity (Go SEA)

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