UCSF

ZINC33620898

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 38 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) 4.80 14.52 -74.1 1 8 0 93 524.658 15
Hi High (pH 8-9.5) 4.80 11.99 -55.49 0 8 -1 91 523.65 15
Lo Low (pH 4.5-6) 4.80 13.23 -62.13 2 8 1 90 525.666 15

Activity (Go SEA)

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