UCSF

ZINC33814179

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 31 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) 2.22 7.99 -53.69 0 8 -1 96 420.445 7
Lo Low (pH 4.5-6) 2.22 6.86 -22.7 1 8 0 93 421.453 7

Activity (Go SEA)

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