UCSF

ZINC08198610

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 19 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) 2.82 7.28 -46.49 2 4 1 47 279.747 5
Hi High (pH 8-9.5) 2.64 4.08 -39.81 0 4 -1 52 277.731 5

Activity (Go SEA)

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