UCSF

ZINC33814087

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 4.75 12.18 -62.08 1 8 -1 111 509.567 4
Lo Low (pH 4.5-6) 4.75 10.87 -24.96 2 8 0 108 510.575 4

Activity (Go SEA)

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