UCSF

ZINC09210782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 33 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) 4.50 7.17 -11.09 3 7 0 106 438.487 5
Lo Low (pH 4.5-6) 4.50 7.5 -56.99 4 7 1 108 439.495 5

Activity (Go SEA)

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