UCSF

ZINC19369239

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 12 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) 1.06 1.7 -37.3 5 2 1 54 165.26 3
Hi High (pH 8-9.5) 1.06 1.21 -1.73 4 2 0 52 164.252 3
Mid Mid (pH 6-8) 1.06 2 -124.85 6 2 2 55 166.268 3

Activity (Go SEA)

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