UCSF

ZINC00255080

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 2.14 6.65 -30.37 5 4 1 71 244.105 1
Hi High (pH 8-9.5) 2.14 6.44 -8.47 4 4 0 70 243.097 1

Activity (Go SEA)

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