UCSF

ZINC37097045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.80 5.84 -25.14 3 3 1 43 220.34 6
Hi High (pH 8-9.5) 0.80 3.63 -4.22 2 3 0 42 219.332 6
Mid Mid (pH 6-8) 0.80 6.23 -117.5 4 3 2 45 221.348 6
Mid Mid (pH 6-8) 0.80 3.82 -44.93 3 3 1 44 220.34 6
Lo Low (pH 4.5-6) 0.80 3.64 -100.81 4 3 2 45 221.348 6

Activity (Go SEA)

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