UCSF

ZINC58203547

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 26 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) 2.10 6.15 -43.52 3 7 1 79 357.434 5
Hi High (pH 8-9.5) 2.10 3.8 -12.34 2 7 0 78 356.426 5
Mid Mid (pH 6-8) 2.10 6.63 -104.78 4 7 2 80 358.442 5
Mid Mid (pH 6-8) 2.10 4.27 -43.82 3 7 1 79 357.434 5

Activity (Go SEA)

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