UCSF

ZINC35500669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 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) 3.40 6.98 -54.78 3 4 1 63 283.351 4
Hi High (pH 8-9.5) 3.86 3.39 -47.73 1 4 -1 61 281.335 4
Mid Mid (pH 6-8) 3.86 4.35 -74.01 2 4 0 66 282.343 4

Activity (Go SEA)

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