UCSF

ZINC08744146

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 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) 6.03 9.04 -11.14 2 5 0 67 420.896 6
Hi High (pH 8-9.5) 6.03 9.86 -42.05 1 5 -1 70 419.888 6
Hi High (pH 8-9.5) 6.03 9.74 -53.58 1 5 -1 70 419.888 6

Activity (Go SEA)

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