UCSF

ZINC38077912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 18 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) -1.24 -1.35 -50.9 5 6 1 95 252.294 6
Hi High (pH 8-9.5) -1.05 -2.63 -55.14 4 6 0 101 251.286 6
Hi High (pH 8-9.5) -1.24 -1.73 -7.69 4 6 0 93 251.286 6

Activity (Go SEA)

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