UCSF

ZINC35500670

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) 3.31 6.59 -54.94 3 4 1 63 283.351 3
Hi High (pH 8-9.5) 3.77 3.23 -46.39 1 4 -1 61 281.335 3
Mid Mid (pH 6-8) 3.77 3.96 -74.22 2 4 0 66 282.343 3

Activity (Go SEA)

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