UCSF

ZINC01220931

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 25 No

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) 4.70 10.9 -16.91 1 6 0 88 373.821 5
Hi High (pH 8-9.5) 4.76 9.47 -40.18 0 6 -1 94 372.813 5

Activity (Go SEA)

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