UCSF

ZINC07329763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2006 27 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) 3.10 9.89 -14.02 1 6 0 63 381.505 7
Lo Low (pH 4.5-6) 3.10 10.67 -27.76 2 6 0 64 382.513 7

Activity (Go SEA)

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