UCSF

ZINC03075036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 29 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) 4.45 -5.07 -13.04 2 6 0 83 404.495 6
Hi High (pH 8-9.5) 4.45 -4.71 -46.4 1 6 -1 86 403.487 6

Activity (Go SEA)

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