UCSF

ZINC07634991

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2006 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) 5.23 12.17 -14.67 1 6 0 87 354.435 6
Hi High (pH 8-9.5) 5.23 12.08 -45.49 0 6 -1 86 353.427 6

Activity (Go SEA)

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