UCSF

ZINC44874701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 23 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) 2.00 5.96 -15.6 1 6 0 85 332.381 6
Hi High (pH 8-9.5) 2.18 4.49 -44.87 0 6 -1 92 331.373 6

Activity (Go SEA)

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