UCSF

ZINC33739092

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.02 13.13 -49.55 0 5 -1 74 389.456 6
Lo Low (pH 4.5-6) 1.79 13.41 -53.34 1 5 0 73 390.464 7

Activity (Go SEA)

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