UCSF

ZINC08997321

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 35 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) -1.45 10.7 -34.53 3 9 1 116 467.509 6
Lo Low (pH 4.5-6) -1.45 11.14 -81.03 4 9 2 117 468.517 6

Activity (Go SEA)

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