UCSF

ZINC13718647

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 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) 1.99 3.05 -25.99 1 9 0 127 452.51 6
Hi High (pH 8-9.5) 1.99 3.13 -63.37 0 9 -1 129 451.502 6

Activity (Go SEA)

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