UCSF

ZINC34948360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 4.14 15.11 -41.14 4 9 1 103 450.567 8
Hi High (pH 8-9.5) 4.14 12.85 -10 3 9 0 102 449.559 8

Activity (Go SEA)

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