UCSF

ZINC33813561

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 2.70 10.16 -70.69 1 7 0 91 462.575 8
Lo Low (pH 4.5-6) 2.70 9.43 -48.65 2 7 1 88 463.583 8

Activity (Go SEA)

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