UCSF

ZINC33772145

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 2.45 8.99 -54.86 0 7 -1 96 415.425 8
Lo Low (pH 4.5-6) 2.45 7.7 -20.69 1 7 0 93 416.433 8

Activity (Go SEA)

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