UCSF

ZINC03430748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 23 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) 3.43 6.33 -52.97 3 4 1 55 381.29 9
Hi High (pH 8-9.5) 3.43 4.98 -8.35 2 4 0 51 380.282 9

Activity (Go SEA)

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