UCSF

ZINC34989738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 No

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) 0.58 5.11 -30.57 1 4 1 38 220.296 3
Mid Mid (pH 6-8) 0.58 7.26 -90.71 2 4 2 39 221.304 3
Mid Mid (pH 6-8) 0.58 4.79 -8.48 0 4 0 36 219.288 3
Lo Low (pH 4.5-6) 0.58 6.95 -39.45 1 4 1 38 220.296 3

Activity (Go SEA)

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