UCSF

ZINC34681522

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 5.01 13.78 -55.11 2 6 1 59 505.948 8
Mid Mid (pH 6-8) 5.01 11.58 -15.44 1 6 0 58 504.94 8
Mid Mid (pH 6-8) 5.01 11.9 -43.93 2 6 1 59 505.948 8
Lo Low (pH 4.5-6) 5.01 14.11 -116.77 3 6 2 60 506.956 8

Activity (Go SEA)

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