UCSF

ZINC36338953

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 Yes

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) 0.88 8.71 -55.96 2 7 1 80 281.336 5
Hi High (pH 8-9.5) 1.33 4.92 -51.55 0 7 -1 82 279.32 5
Mid Mid (pH 6-8) 0.88 6.5 -11.74 1 7 0 79 280.328 5

Activity (Go SEA)

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