UCSF

ZINC35706767

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 36 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) 5.15 12.38 -14.57 2 6 0 79 499.636 6
Hi High (pH 8-9.5) 5.15 12.4 -52.42 1 6 -1 81 498.628 6

Activity (Go SEA)

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