UCSF

ZINC44260013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) -0.87 -1.49 -51.24 3 6 1 87 276.313 3
Hi High (pH 8-9.5) -0.87 -1.87 -8.43 2 6 0 86 275.305 3

Activity (Go SEA)

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