UCSF

ZINC09192458

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 36 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) 4.99 2.97 -16.55 0 7 0 81 484.552 7
Lo Low (pH 4.5-6) 4.99 3.1 -34.24 1 7 1 83 485.56 7

Activity (Go SEA)

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