UCSF

ZINC33814169

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 32 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) 1.53 6.13 -53.22 1 9 -1 116 436.444 7
Lo Low (pH 4.5-6) 1.53 4.99 -22.74 2 9 0 114 437.452 7

Activity (Go SEA)

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